1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)-4-nitro-


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-(1-methylethyl)-4-nitro-
CAS Number: 141721-97-3
Product Number: AG001GXT(AGN-PC-0NHY3A)
Synonyms:
MDL No:
Molecular Formula: C7H9N3O4
Molecular Weight: 199.1641

Identification/Properties


Computed Properties
Molecular Weight:
199.166g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
199.059g/mol
Monoisotopic Mass:
199.059g/mol
Topological Polar Surface Area:
112A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
250
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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