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Home > Nitro Compounds > 115591-24-7
115591-24-7 | 1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-
CAS No: 115591-24-7 Catalog No: AG000G88 MDL No:
Product Description
Catalog Number:
AG000G88
Chemical Name:
1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-
CAS Number:
115591-24-7
Molecular Formula:
C15H12N4O2
Molecular Weight:
280.2814
IUPAC Name:
5-methyl-1-(4-nitrophenyl)-3-phenyl-1,2,4-triazole
InChI:
InChI=1S/C15H12N4O2/c1-11-16-15(12-5-3-2-4-6-12)17-18(11)13-7-9-14(10-8-13)19(20)21/h2-10H,1H3
InChI Key:
JXEWDROHALNZJK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nc(nc1C)c1ccccc1
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.287g/mol
Monoisotopic Mass:
280.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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