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Home > Nitro Compounds > 89060-81-1
89060-81-1 | 1H-1,2,4-Triazole, 1-(4-nitrophenyl)-3-phenyl-
CAS No: 89060-81-1 Catalog No: AG0041KZ MDL No:
Product Description
Catalog Number:
AG0041KZ
Chemical Name:
1H-1,2,4-Triazole, 1-(4-nitrophenyl)-3-phenyl-
CAS Number:
89060-81-1
Molecular Formula:
C14H10N4O2
Molecular Weight:
266.2548
IUPAC Name:
1-(4-nitrophenyl)-3-phenyl-1,2,4-triazole
InChI:
InChI=1S/C14H10N4O2/c19-18(20)13-8-6-12(7-9-13)17-10-15-14(16-17)11-4-2-1-3-5-11/h1-10H
InChI Key:
RABDXHZJPRPCGZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1cnc(n1)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:
266.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.26g/mol
Monoisotopic Mass:
266.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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