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Home > Nitro Compounds > 343373-46-6
343373-46-6 | 1-(2,4-dinitrophenyl)-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS No: 343373-46-6 Catalog No: AG00IQ68 MDL No:MFCD01316709
Product Description
Catalog Number:
AG00IQ68
Chemical Name:
1-(2,4-dinitrophenyl)-4-(4-methylphenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
343373-46-6
Molecular Formula:
C15H11N5O5
Molecular Weight:
341.2783
MDL Number:
MFCD01316709
IUPAC Name:
2-(2,4-dinitrophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-one
InChI:
InChI=1S/C15H11N5O5/c1-10-2-4-11(5-3-10)17-9-16-18(15(17)21)13-7-6-12(19(22)23)8-14(13)20(24)25/h2-9H,1H3
InChI Key:
RDRIUZJRBGTMLK-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)n1cnn(c1=O)c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
578
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.076g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.283g/mol
Monoisotopic Mass:
341.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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