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138783-06-9 | 1H-Imidazole, 2-(nitrophenyl)-4,5-diphenyl-, compd. with acetonitrile (1:1) (9CI)
CAS No: 138783-06-9 Catalog No: AG0019KC MDL No:
Product Description
Catalog Number:
AG0019KC
Chemical Name:
1H-Imidazole, 2-(nitrophenyl)-4,5-diphenyl-, compd. with acetonitrile (1:1) (9CI)
CAS Number:
138783-06-9
Molecular Formula:
C23H18N4O2
Molecular Weight:
382.4146
IUPAC Name:
acetonitrile;2-(2-nitrophenyl)-4,5-diphenyl-1H-imidazole
InChI:
InChI=1S/C21H15N3O2.C2H3N/c25-24(26)18-14-8-7-13-17(18)21-22-19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16;1-2-3/h1-14H,(H,22,23);1H3
InChI Key:
UFGOVJQTHBLVLN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1nc(c([nH]1)c1ccccc1)c1ccccc1.CC#N
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.143g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
382.423g/mol
Monoisotopic Mass:
382.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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