CS-0616457
Methyl β-iodobenzenepropanoate
Manufacturer: ChemScene
CAS Number: 138174-09-1
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₀H₁₁IO₂
Molecular Weight
290.10
Synonyms
None
SMILES
O=C(CC(C1=CC=CC=C1)I)OC
Tpsa
26.3
Logp
2.7258
H Acceptors
2
H Donors
0
Rotatable Bonds
3
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₁IO₂
Molecular Weight: 290.10
Synonyms: None
SMILES: O=C(CC(C1=CC=CC=C1)I)OC
Tpsa: 26.3
Logp: 2.7258
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₁IO₂
Molecular Weight:
290.10
Synonyms:
None
SMILES:
O=C(CC(C1=CC=CC=C1)I)OC
Tpsa:
26.3
Logp:
2.7258
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₃₈H₅₁₆N₈₈O₁₀₈S₄
Molecular Weight: 7668.48
Synonyms: None
SMILES: O=C(N[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@H](O)C)C(N1[C@@H](CCC1)C(N[C@@H]([C@H](O)C)C(N[C@@H](C)C(N[C@@H](CSSC[C@@H](C(N[C@@H](CO)C(N[C@@H](CCCCN)C(N2[C@@H](CCC2)C(NCC(N[C@@H](C(C)C)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC(C)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@H]4C(C)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC5=O)C(N[C@@H](CSSC[C@@H](C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(N6[C@@H](CCC6)C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC7=CNC8=CC=CC=C78)C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC9=CC=C(C=C9)O)C(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](C)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC4=O)C(N[C@@H](CC%10=CC=CC=C%10)C(N[C@@H](CO)C(N[C@@H](CC%11=CC=C(C=C%11)O)C(N[C@@H]([C@H](O)C)C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H]([C@@H](C)CC)C(N%12[C@@H](CCC%12)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC%13=CC=CC=C%13)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](CC%14=CC=C(C=C%14)O)C(N[C@@H](CC%15=CC=CC=C%15)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H]5CCC(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CO)N
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃₈H₅₁₆N₈₈O₁₀₈S₄
Molecular Weight:
7668.48
Synonyms:
None
SMILES:
O=C(N[C@@H](CC(C)C)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(N[C@@H]([C@H](O)C)C(N1[C@@H](CCC1)C(N[C@@H]([C@H](O)C)C(N[C@@H](C)C(N[C@@H](CSSC[C@@H](C(N[C@@H](CO)C(N[C@@H](CCCCN)C(N2[C@@H](CCC2)C(NCC(N[C@@H](C(C)C)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC3=CC=CC=C3)C(N[C@@H](CC(C)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CCCCN)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@H]4C(C)C)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC5=O)C(N[C@@H](CSSC[C@@H](C(N[C@@H](C)C(N[C@@H](CC(O)=O)C(N6[C@@H](CCC6)C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC7=CNC8=CC=CC=C78)C(N[C@@H](C(C)C)C(N[C@@H](CCC(N)=O)C(N[C@@H](CCCCN)C(N[C@@H](CC9=CC=C(C=C9)O)C(N[C@@H](C(C)C)C(N[C@@H](CO)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@@H](C)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC4=O)C(N[C@@H](CC%10=CC=CC=C%10)C(N[C@@H](CO)C(N[C@@H](CC%11=CC=C(C=C%11)O)C(N[C@@H]([C@H](O)C)C(N[C@@H](CO)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CCC(N)=O)C(N[C@@H]([C@@H](C)CC)C(N%12[C@@H](CCC%12)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC%13=CC=CC=C%13)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](C)C(N[C@@H](C)C(N[C@@H](CC%14=CC=C(C=C%14)O)C(N[C@@H](CC%15=CC=CC=C%15)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@H]5CCC(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CO)N
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₄H₇₅N₁₃O₁₅
Molecular Weight: 1146.25
Synonyms: None
SMILES: O=C(N[C@@H](CC(C)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H]([C@H](O)C)C(N2[C@@H](CCC2)C(N[C@@H](CC(N)=O)C(N[C@@H](CC3=CNC4=CC=CC=C34)C(NCC(N[C@@H]([C@H](O)C)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC5)NC5=O
Tpsa: 444.87
Logp: -4.7183
H Acceptors: 15
H Donors: 15
Rotatable Bonds: 29
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₄H₇₅N₁₃O₁₅
Molecular Weight:
1146.25
Synonyms:
None
SMILES:
O=C(N[C@@H](CC(C)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC1=CC=CC=C1)C(N[C@@H]([C@H](O)C)C(N2[C@@H](CCC2)C(N[C@@H](CC(N)=O)C(N[C@@H](CC3=CNC4=CC=CC=C34)C(NCC(N[C@@H]([C@H](O)C)C(N)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC5)NC5=O
Tpsa:
444.87
Logp:
-4.7183
H Acceptors:
15
H Donors:
15
Rotatable Bonds:
29
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₉I
Molecular Weight: 232.06
Synonyms: None
SMILES: CC1=CC=C(CI)C=C1
Tpsa: 0
Logp: 2.93002
H Acceptors: 0
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₉I
Molecular Weight:
232.06
Synonyms:
None
SMILES:
CC1=CC=C(CI)C=C1
Tpsa:
0
Logp:
2.93002
H Acceptors:
0
H Donors:
0
Rotatable Bonds:
1