Home Halogens 1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)

1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)

CAS No.:
401567-00-8
Catalog Number:
AG00BZJN
Molecular Formula:
C8H4ClN3
Molecular Weight:
177.5905
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Product Description
Catalog Number:
AG00BZJN
Chemical Name:
1H-Benzimidazole-5-carbonitrile,2-chloro-(9CI)
CAS Number:
401567-00-8
Molecular Formula:
C8H4ClN3
Molecular Weight:
177.5905
MDL Number:
MFCD08457981
IUPAC Name:
2-chloro-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C8H4ClN3/c9-8-11-6-2-1-5(4-10)3-7(6)12-8/h1-3H,(H,11,12)
InChI Key:
WDWQXEUJKGYNPZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc([nH]2)Cl
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.009g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
177.591g/mol
Monoisotopic Mass:
177.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties