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4414-74-8 | 1H-Benzimidazole-1-acetonitrile(9CI)
CAS No: 4414-74-8 Catalog No: AG00DWHZ MDL No:MFCD00590873
Product Description
Catalog Number:
AG00DWHZ
Chemical Name:
1H-Benzimidazole-1-acetonitrile(9CI)
CAS Number:
4414-74-8
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD00590873
IUPAC Name:
2-(benzimidazol-1-yl)acetonitrile
InChI:
InChI=1S/C9H7N3/c10-5-6-12-7-11-8-3-1-2-4-9(8)12/h1-4,7H,6H2
InChI Key:
XLOWJKLTSYXFME-UHFFFAOYSA-N
SMILES:
N#CCn1cnc2c1cccc2
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:
0
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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