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Home > Imidazoles > 857772-85-1
857772-85-1 | 1-Phenyl-1H-imidazole-4-carbonitrile
CAS No: 857772-85-1 Catalog No: AG019FYU MDL No:
Product Description
Catalog Number:
AG019FYU
Chemical Name:
1-Phenyl-1H-imidazole-4-carbonitrile
CAS Number:
857772-85-1
Molecular Formula:
C10H7N3
Molecular Weight:
169.1827
IUPAC Name:
1-phenylimidazole-4-carbonitrile
InChI:
InChI=1S/C10H7N3/c11-6-9-7-13(8-12-9)10-4-2-1-3-5-10/h1-5,7-8H
InChI Key:
NGSOWJSXAXEOIS-UHFFFAOYSA-N
SMILES:
N#Cc1ncn(c1)c1ccccc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.187g/mol
Monoisotopic Mass:
169.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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