CS-0881437
Methyl 4-amino-2-chloro-3-iodo-5-methoxybenzoate
Manufacturer: ChemScene
CAS Number: 1613730-86-1
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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
C₉H₉ClINO₃
Molecular Weight
341.53
Synonyms
None
SMILES
O=C(OC)C1=CC(OC)=C(N)C(I)=C1Cl
Tpsa
61.55
Logp
2.322
H Acceptors
4
H Donors
1
Rotatable Bonds
2
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: C₉H₉ClINO₃
Molecular Weight: 341.53
Synonyms: None
SMILES: O=C(OC)C1=CC(OC)=C(N)C(I)=C1Cl
Tpsa: 61.55
Logp: 2.322
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₉ClINO₃
Molecular Weight:
341.53
Synonyms:
None
SMILES:
O=C(OC)C1=CC(OC)=C(N)C(I)=C1Cl
Tpsa:
61.55
Logp:
2.322
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₉H₄₂BNO₆S
Molecular Weight: 543.52
Synonyms: None
SMILES: C[C@@H](S(=O)(N(CC1=CC=C(OC)C=C1)CC2=CC=C(OC)C=C2)=O)[C@@H](C)C/C=C/B3OC(C)(C)C(C)(C)O3
Tpsa: 74.3
Logp: 5.6381
H Acceptors: 6
H Donors: 0
Rotatable Bonds: 12
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₉H₄₂BNO₆S
Molecular Weight:
543.52
Synonyms:
None
SMILES:
C[C@@H](S(=O)(N(CC1=CC=C(OC)C=C1)CC2=CC=C(OC)C=C2)=O)[C@@H](C)C/C=C/B3OC(C)(C)C(C)(C)O3
Tpsa:
74.3
Logp:
5.6381
H Acceptors:
6
H Donors:
0
Rotatable Bonds:
12
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₁₃NO₂S
Molecular Weight: 163.24
Synonyms: None
SMILES: O=S(CC1CNCC1)(C)=O
Tpsa: 46.17
Logp: -0.3595
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₁₃NO₂S
Molecular Weight:
163.24
Synonyms:
None
SMILES:
O=S(CC1CNCC1)(C)=O
Tpsa:
46.17
Logp:
-0.3595
H Acceptors:
3
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₆H₂BrClN₂S
Molecular Weight: 249.52
Synonyms: None
SMILES: ClC1=C2C(C(Br)=CS2)=NN=C1
Tpsa: 25.78
Logp: 3.1072
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₆H₂BrClN₂S
Molecular Weight:
249.52
Synonyms:
None
SMILES:
ClC1=C2C(C(Br)=CS2)=NN=C1
Tpsa:
25.78
Logp:
3.1072
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
0