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Home > Imidazoles > 92443-13-5
92443-13-5 | 2-METHYL-1H-BENZO[D]IMIDAZOLE-5-CARBONITRILE
CAS No: 92443-13-5 Catalog No: AG0065UT MDL No:MFCD06659814
Product Description
Catalog Number:
AG0065UT
Chemical Name:
2-METHYL-1H-BENZO[D]IMIDAZOLE-5-CARBONITRILE
CAS Number:
92443-13-5
Molecular Formula:
C9H7N3
Molecular Weight:
157.1720
MDL Number:
MFCD06659814
IUPAC Name:
2-methyl-3H-benzimidazole-5-carbonitrile
InChI:
InChI=1S/C9H7N3/c1-6-11-8-3-2-7(5-10)4-9(8)12-6/h2-4H,1H3,(H,11,12)
InChI Key:
QPFHANMJUAOJKH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)nc([nH]2)C
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:
1.8
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