Home Carboxys 4-Chloro-1H-indole-2-carboxylic acid

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

CAS No.:
24621-73-6
Catalog Number:
AG002OTV
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$88
- +
5g
97%
In Stock USA
United States
$257
- +
10g
97%
In Stock USA
United States
$475
- +
25g
97%
In Stock USA
United States
$950
- +
Product Description
Catalog Number:
AG002OTV
Chemical Name:
4-Chloro-1H-indole-2-carboxylic acid
CAS Number:
24621-73-6
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD02664470
IUPAC Name:
4-chloro-1H-indole-2-carboxylic acid
InChI:
InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(11-7)9(12)13/h1-4,11H,(H,12,13)
InChI Key:
VXZHQADIRFFCMJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc2c([nH]1)cccc2Cl
EC Number:
246-364-6
NSC Number:
148347
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