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Home > Nitro Compounds > 321431-09-8
321431-09-8 | N-(4-chlorophenyl)-5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
CAS No: 321431-09-8 Catalog No: AG00INWS MDL No:MFCD00173075
Product Description
Catalog Number:
AG00INWS
Chemical Name:
N-(4-chlorophenyl)-5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
CAS Number:
321431-09-8
Molecular Formula:
C16H12ClN5O3
Molecular Weight:
357.7512
MDL Number:
MFCD00173075
IUPAC Name:
N-(4-chlorophenyl)-5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C16H12ClN5O3/c1-10-18-15(16(23)19-12-4-2-11(17)3-5-12)20-21(10)13-6-8-14(9-7-13)22(24)25/h2-9H,1H3,(H,19,23)
InChI Key:
YYWBXSRZYSQGCT-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=O)c1nn(c(n1)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.063g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.754g/mol
Monoisotopic Mass:
357.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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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