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Home > Nitro Compounds > 13274-75-4
13274-75-4 | 3H-1,2,4-Triazole-3,5(4H)-dione, 4-(4-nitrophenyl)-
CAS No: 13274-75-4 Catalog No: AG00113B MDL No:
Product Description
Catalog Number:
AG00113B
Chemical Name:
3H-1,2,4-Triazole-3,5(4H)-dione, 4-(4-nitrophenyl)-
CAS Number:
13274-75-4
Molecular Formula:
C8H4N4O4
Molecular Weight:
220.1418
IUPAC Name:
4-(4-nitrophenyl)-1,2,4-triazole-3,5-dione
InChI:
InChI=1S/C8H4N4O4/c13-7-9-10-8(14)11(7)5-1-3-6(4-2-5)12(15)16/h1-4H
InChI Key:
UESRQNZMQYMVKM-UHFFFAOYSA-N
SMILES:
O=C1N=NC(=O)N1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.144g/mol
Monoisotopic Mass:
220.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Application of 4-(4-nitrophenyl)-1,2,4-triazoline-3,5-dione to analysis of 25-hydroxyvitamin D3 in human plasma by liquid chromatography/electron capture atmospheric pressure chemical ionization-mass spectrometry. | Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20030601 |
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