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Home > Imidazoles > 88482-14-8
88482-14-8 | 1H-Benzimidazole-2-acetonitrile, 1-(2-methylbenzoyl)-
CAS No: 88482-14-8 Catalog No: AG008AH8 MDL No:
Product Description
Catalog Number:
AG008AH8
Chemical Name:
1H-Benzimidazole-2-acetonitrile, 1-(2-methylbenzoyl)-
CAS Number:
88482-14-8
Molecular Formula:
C17H13N3O
Molecular Weight:
275.3046
IUPAC Name:
2-[1-(2-methylbenzoyl)benzimidazol-2-yl]acetonitrile
InChI:
InChI=1S/C17H13N3O/c1-12-6-2-3-7-13(12)17(21)20-15-9-5-4-8-14(15)19-16(20)10-11-18/h2-9H,10H2,1H3
InChI Key:
OFXMKHPESNQCKJ-UHFFFAOYSA-N
SMILES:
N#CCc1nc2c(n1C(=O)c1ccccc1C)cccc2
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.311g/mol
Monoisotopic Mass:
275.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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