Home Nitriles 1H-Benzimidazole-1-acetonitrile,2-methyl-(9CI)

1H-Benzimidazole-1-acetonitrile,2-methyl-(9CI)

CAS No.:
54980-87-9
Catalog Number:
AG00DCVJ
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
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Product Description
Catalog Number:
AG00DCVJ
Chemical Name:
1H-Benzimidazole-1-acetonitrile,2-methyl-(9CI)
CAS Number:
54980-87-9
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
MDL Number:
MFCD00586183
IUPAC Name:
2-(2-methylbenzimidazol-1-yl)acetonitrile
InChI:
InChI=1S/C10H9N3/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-5H,7H2,1H3
InChI Key:
ZFYCTZWIDBOUPX-UHFFFAOYSA-N
SMILES:
N#CCn1c(C)nc2c1cccc2
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties