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Home > Imidazoles > 114523-57-8
114523-57-8 | 1H-Imidazole-5-carbonitrile, 4,5-dihydro-2-phenyl-
CAS No: 114523-57-8 Catalog No: AG000EN8 MDL No:
Product Description
Catalog Number:
AG000EN8
Chemical Name:
1H-Imidazole-5-carbonitrile, 4,5-dihydro-2-phenyl-
CAS Number:
114523-57-8
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
IUPAC Name:
2-phenyl-4,5-dihydro-1H-imidazole-5-carbonitrile
InChI:
InChI=1S/C10H9N3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9H,7H2,(H,12,13)
InChI Key:
DXZWKAFLYYRUNE-UHFFFAOYSA-N
SMILES:
N#CC1CN=C(N1)c1ccccc1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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