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952511-70-5 | 7-METHYL-1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE
CAS No: 952511-70-5 Catalog No: AG006O50 MDL No:
Product Description
Catalog Number:
AG006O50
Chemical Name:
7-METHYL-1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE
CAS Number:
952511-70-5
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
IUPAC Name:
4-methyl-1H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C9H7N3/c1-6-7(4-10)2-3-8-9(6)12-5-11-8/h2-3,5H,1H3,(H,11,12)
InChI Key:
STOFVVYYCFWSEH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1C)[nH]cn2
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:
1
Isotope Atom Count:
0
Molecular Weight:
157.176g/mol
Monoisotopic Mass:
157.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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