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16732-75-5 | 1H-Indole-2-carboxylic acid, 6-chloro-
CAS No: 16732-75-5 Catalog No: AG001XBR MDL No:MFCD01863157
Product Description
Catalog Number:
AG001XBR
Chemical Name:
1H-Indole-2-carboxylic acid, 6-chloro-
CAS Number:
16732-75-5
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD01863157
IUPAC Name:
6-chloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H6ClNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-4,11H,(H,12,13)
InChI Key:
BKPSJOSKWKTWAG-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)[nH]c(c2)C(=O)O
EC Number:
240-799-5
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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