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5805-74-3 | 1H-Benzimidazole-2-carbonitrile,1-methyl-(9CI)
CAS No: 5805-74-3 Catalog No: AG00EEEZ MDL No:MFCD00196767
Product Description
Catalog Number:
AG00EEEZ
Chemical Name:
1H-Benzimidazole-2-carbonitrile,1-methyl-(9CI)
CAS Number:
5805-74-3
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD00196767
IUPAC Name:
1-methylbenzimidazole-2-carbonitrile
InChI:
InChI=1S/C9H7N3/c1-12-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,1H3
InChI Key:
SDEGFWBPPCBOML-UHFFFAOYSA-N
SMILES:
N#Cc1nc2c(n1C)cccc2
Properties
Complexity:
217
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:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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