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88346-57-0 | 1H-Imidazole-1-carbonitrile, 4-methyl-2-phenyl-
CAS No: 88346-57-0 Catalog No: AG0046FD MDL No:
Product Description
Catalog Number:
AG0046FD
Chemical Name:
1H-Imidazole-1-carbonitrile, 4-methyl-2-phenyl-
CAS Number:
88346-57-0
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
IUPAC Name:
4-methyl-2-phenylimidazole-1-carbonitrile
InChI:
InChI=1S/C11H9N3/c1-9-7-14(8-12)11(13-9)10-5-3-2-4-6-10/h2-7H,1H3
InChI Key:
WJHQVFOTVIQYRU-UHFFFAOYSA-N
SMILES:
N#Cn1cc(nc1c1ccccc1)C
Properties
Complexity:
236
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:
2.2
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