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Home > Nitro Compounds > 139370-88-0
139370-88-0 | Ethanone, 1-(4-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS No: 139370-88-0 Catalog No: AG001AVL MDL No:
Product Description
Catalog Number:
AG001AVL
Chemical Name:
Ethanone, 1-(4-nitrophenyl)-2-(1H-1,2,4-triazol-1-yl)-
CAS Number:
139370-88-0
Molecular Formula:
C10H8N4O3
Molecular Weight:
232.1955
IUPAC Name:
1-(4-nitrophenyl)-2-(1,2,4-triazol-1-yl)ethanone
InChI:
InChI=1S/C10H8N4O3/c15-10(5-13-7-11-6-12-13)8-1-3-9(4-2-8)14(16)17/h1-4,6-7H,5H2
InChI Key:
CQAFVMXEPJPFSQ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])Cn1ncnc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.06g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.199g/mol
Monoisotopic Mass:
232.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Novel inhibitors of nitric oxide synthase with antioxidant properties. | European journal of medicinal chemistry 20120301 |
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