Home Halogens 1H-Benzimidazole-7-carboxylic acid, 5-chloro-

1H-Benzimidazole-7-carboxylic acid, 5-chloro-

CAS No.:
180569-27-1
Catalog Number:
AG00224J
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
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Product Description
Catalog Number:
AG00224J
Chemical Name:
1H-Benzimidazole-7-carboxylic acid, 5-chloro-
CAS Number:
180569-27-1
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
MDL Number:
MFCD02181085
IUPAC Name:
6-chloro-1H-benzimidazole-4-carboxylic acid
InChI:
InChI=1S/C8H5ClN2O2/c9-4-1-5(8(12)13)7-6(2-4)10-3-11-7/h1-3H,(H,10,11)(H,12,13)
InChI Key:
PLUIBRICHWAFJL-UHFFFAOYSA-N
SMILES:
Clc1cc2nc[nH]c2c(c1)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:
1.6  
Properties