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Home > Nitro Compounds > 16759-47-0
16759-47-0 | 4H-1,2,4-Triazole, 4-(4-nitrophenyl)-
CAS No: 16759-47-0 Catalog No: AG001XGR MDL No:
Product Description
Catalog Number:
AG001XGR
Chemical Name:
4H-1,2,4-Triazole, 4-(4-nitrophenyl)-
CAS Number:
16759-47-0
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
IUPAC Name:
4-(4-nitrophenyl)-1,2,4-triazole
InChI:
InChI=1S/C8H6N4O2/c13-12(14)8-3-1-7(2-4-8)11-5-9-10-6-11/h1-6H
InChI Key:
ZERNWUNKACPDHD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1cnnc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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