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Home > Imidazoles > 88346-56-9
88346-56-9 | 1H-Imidazole-1-carbonitrile, 2-methyl-5-phenyl-
CAS No: 88346-56-9 Catalog No: AG0046FE MDL No:
Product Description
Catalog Number:
AG0046FE
Chemical Name:
1H-Imidazole-1-carbonitrile, 2-methyl-5-phenyl-
CAS Number:
88346-56-9
Molecular Formula:
C11H9N3
Molecular Weight:
183.2093
IUPAC Name:
2-methyl-5-phenylimidazole-1-carbonitrile
InChI:
InChI=1S/C11H9N3/c1-9-13-7-11(14(9)8-12)10-5-3-2-4-6-10/h2-7H,1H3
InChI Key:
GIFCRDZJFZSTKO-UHFFFAOYSA-N
SMILES:
N#Cn1c(C)ncc1c1ccccc1
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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