5-Methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid


Chemical Name: 5-Methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid
CAS Number: 1025-88-3
Product Number: AG0007LO(AGN-PC-0KKSZY)
Synonyms:
MDL No:
Molecular Formula: C10H8N4O4
Molecular Weight: 248.1949

Identification/Properties


Computed Properties
Molecular Weight:
248.198g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
248.055g/mol
Monoisotopic Mass:
248.055g/mol
Topological Polar Surface Area:
114A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
337
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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