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Home > Nitro Compounds > 101648-17-3
101648-17-3 | 2H-1,2,3-Triazole, 2-(4-nitrophenyl)-4,5-diphenyl-
CAS No: 101648-17-3 Catalog No: AG00051J MDL No:
Product Description
Catalog Number:
AG00051J
Chemical Name:
2H-1,2,3-Triazole, 2-(4-nitrophenyl)-4,5-diphenyl-
CAS Number:
101648-17-3
Molecular Formula:
C20H14N4O2
Molecular Weight:
342.3508
IUPAC Name:
2-(4-nitrophenyl)-4,5-diphenyltriazole
InChI:
InChI=1S/C20H14N4O2/c25-24(26)18-13-11-17(12-14-18)23-21-19(15-7-3-1-4-8-15)20(22-23)16-9-5-2-6-10-16/h1-14H
InChI Key:
RUGFOUVGGNRMBY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc(c(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.112g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.358g/mol
Monoisotopic Mass:
342.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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