CS-0508866
5-Bromo-1-(cyanomethyl)-1H-indole-2-carboxylic acid
Manufacturer: ChemScene
CAS Number: 1032715-49-3
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Purity
98%
MDL No
MFCD26734136
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₁H₇BrN₂O₂
Molecular Weight
279.09
Synonyms
5-bromo-1-cyanomethylindole-2-carboxylic acid
SMILES
O=C(C(N1CC#N)=CC2=C1C=CC(Br)=C2)O
Tpsa
66.02
Logp
2.62558
H Acceptors
3
H Donors
1
Rotatable Bonds
2
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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: MFCD26734136
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₇BrN₂O₂
Molecular Weight: 279.09
Synonyms: 5-bromo-1-cyanomethylindole-2-carboxylic acid
SMILES: O=C(C(N1CC#N)=CC2=C1C=CC(Br)=C2)O
Tpsa: 66.02
Logp: 2.62558
H Acceptors: 3
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD26734136
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₁H₇BrN₂O₂
Molecular Weight:
279.09
Synonyms:
5-bromo-1-cyanomethylindole-2-carboxylic acid
SMILES:
O=C(C(N1CC#N)=CC2=C1C=CC(Br)=C2)O
Tpsa:
66.02
Logp:
2.62558
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: C₁₃H₂₂N₂O₃
Molecular Weight: 254.33
Synonyms: None
SMILES: CC(C)(C)OC(=O)N1CC(N2CCC(=O)CC2)C1
Tpsa: 49.85
Logp: 1.2706
H Acceptors: 4
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:
C₁₃H₂₂N₂O₃
Molecular Weight:
254.33
Synonyms:
None
SMILES:
CC(C)(C)OC(=O)N1CC(N2CCC(=O)CC2)C1
Tpsa:
49.85
Logp:
1.2706
H Acceptors:
4
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: C₉H₁₄BNO₅S
Molecular Weight: 259.09
Synonyms: None
SMILES: OB(C1=CC=C(S(=O)(NCCOC)=O)C=C1)O
Tpsa: 95.86
Logp: -1.7089
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₁₄BNO₅S
Molecular Weight:
259.09
Synonyms:
None
SMILES:
OB(C1=CC=C(S(=O)(NCCOC)=O)C=C1)O
Tpsa:
95.86
Logp:
-1.7089
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₆O₅
Molecular Weight: 252.26
Synonyms: None
SMILES: O=C(C1(C2=CC(OC)=C(OC)C(OC)=C2)CC1)O
Tpsa: 64.99
Logp: 1.8286
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₆O₅
Molecular Weight:
252.26
Synonyms:
None
SMILES:
O=C(C1(C2=CC(OC)=C(OC)C(OC)=C2)CC1)O
Tpsa:
64.99
Logp:
1.8286
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
5