Home Carboxys 6-Chloro-1H-benzoimidazole-2-carboxylic acid

6-Chloro-1H-benzoimidazole-2-carboxylic acid

CAS No.:
39811-14-8
Catalog Number:
AG00777R
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$175
- +
5g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00777R
Chemical Name:
6-Chloro-1H-benzoimidazole-2-carboxylic acid
CAS Number:
39811-14-8
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD06739053
IUPAC Name:
6-chloro-1H-benzimidazole-2-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-4-1-2-5-6(3-4)11-7(10-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChI Key:
NZIHMSYSZRFUQJ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc([nH]2)C(=O)O
Properties
Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties