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Home Carboxys 7-Chloro-1H-indole-2-carboxylic acid

7-Chloro-1H-indole-2-carboxylic acid

CAS No.:
28899-75-4
Catalog Number:
AG002WZB
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$125
- +
5g
97%
In Stock USA
United States
$500
- +
10g
97%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG002WZB
Chemical Name:
7-Chloro-1H-indole-2-carboxylic acid
CAS Number:
28899-75-4
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD02664428
IUPAC Name:
7-chloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H6ClNO2/c10-6-3-1-2-5-4-7(9(12)13)11-8(5)6/h1-4,11H,(H,12,13)
InChI Key:
NVKAHBFPKVINGE-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)c(Cl)ccc2
EC Number:
249-296-5
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
Properties