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76849-22-4 | 1H-Imidazole-1-carbonitrile, 4,5-diphenyl-
CAS No: 76849-22-4 Catalog No: AG005HJK MDL No:
Product Description
Catalog Number:
AG005HJK
Chemical Name:
1H-Imidazole-1-carbonitrile, 4,5-diphenyl-
CAS Number:
76849-22-4
Molecular Formula:
C16H11N3
Molecular Weight:
245.2786
IUPAC Name:
4,5-diphenylimidazole-1-carbonitrile
InChI:
InChI=1S/C16H11N3/c17-11-19-12-18-15(13-7-3-1-4-8-13)16(19)14-9-5-2-6-10-14/h1-10,12H
InChI Key:
NZVPNDSKNRFWQR-UHFFFAOYSA-N
SMILES:
N#Cn1cnc(c1c1ccccc1)c1ccccc1
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.285g/mol
Monoisotopic Mass:
245.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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