Home Nitriles 1H-Benzimidazole-5-acetonitrile(9CI)

1H-Benzimidazole-5-acetonitrile(9CI)

CAS No.:
110925-52-5
Catalog Number:
AG009P8V
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
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Product Description
Catalog Number:
AG009P8V
Chemical Name:
1H-Benzimidazole-5-acetonitrile(9CI)
CAS Number:
110925-52-5
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD18807905
IUPAC Name:
2-(3H-benzimidazol-5-yl)acetonitrile
InChI:
InChI=1S/C9H7N3/c10-4-3-7-1-2-8-9(5-7)12-6-11-8/h1-2,5-6H,3H2,(H,11,12)
InChI Key:
ZQLUGIGOZJUGRM-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(c1)nc[nH]2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties