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Home > Nitro Compounds > 306977-09-3
306977-09-3 | N-(2,4-dichlorophenyl)-5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
CAS No: 306977-09-3 Catalog No: AG00INYJ MDL No:MFCD00173064
Product Description
Catalog Number:
AG00INYJ
Chemical Name:
N-(2,4-dichlorophenyl)-5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
CAS Number:
306977-09-3
Molecular Formula:
C16H11Cl2N5O3
Molecular Weight:
392.1962
MDL Number:
MFCD00173064
IUPAC Name:
N-(2,4-dichlorophenyl)-5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C16H11Cl2N5O3/c1-9-19-15(16(24)20-14-7-2-10(17)8-13(14)18)21-22(9)11-3-5-12(6-4-11)23(25)26/h2-8H,1H3,(H,20,24)
InChI Key:
VODCDDLPMSPNJT-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)NC(=O)c1nn(c(n1)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.024g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
392.196g/mol
Monoisotopic Mass:
391.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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