Home Carboxys 6-Chloroindole-2-carboxylic acid

6-Chloroindole-2-carboxylic acid

CAS No.:
16732-75-5
Catalog Number:
AG001XBR
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$46
- +
1g
98%
In Stock USA
United States
$49
- +
5g
98%
In Stock USA
United States
$183
- +
10g
98%
In Stock USA
United States
$363
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG001XBR
Chemical Name:
6-Chloroindole-2-carboxylic acid
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
Properties