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Home > Imidazoles > 892502-27-1
892502-27-1 | Benzonitrile,2-(2-methyl-1H-imidazol-1-yl)-
CAS No: 892502-27-1 Catalog No: AG00425F MDL No:MFCD09065013
Product Description
Catalog Number:
AG00425F
Chemical Name:
Benzonitrile,2-(2-methyl-1H-imidazol-1-yl)-
CAS Number:
892502-27-1
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
MDL Number:
MFCD09065013
IUPAC Name:
2-(2-methylimidazol-1-yl)benzonitrile
InChI:
InChI=1S/C11H9N3/c1-9-13-6-7-14(9)11-5-3-2-4-10(11)8-12/h2-7H,1H3
InChI Key:
NCQQCFZREDABTC-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1n1ccnc1C
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.214g/mol
Monoisotopic Mass:
183.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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