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16732-71-1 | 1H-Indole-2-carboxylic acid, 7-bromo-
CAS No: 16732-71-1 Catalog No: AG001XAQ MDL No:MFCD00744954
Product Description
Catalog Number:
AG001XAQ
Chemical Name:
1H-Indole-2-carboxylic acid, 7-bromo-
CAS Number:
16732-71-1
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD00744954
IUPAC Name:
7-bromo-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H6BrNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13)
InChI Key:
ZKGMXVLKFBRKNN-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)c(Br)ccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.958g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.056g/mol
Monoisotopic Mass:
238.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. | Journal of medicinal chemistry 20040506 |
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