1H-Pyrazole-4-carbonitrile, 5-amino-3-methyl-1-(4-nitrophenyl)-


Chemical Name: 1H-Pyrazole-4-carbonitrile, 5-amino-3-methyl-1-(4-nitrophenyl)-
CAS Number: 76982-31-5
Product Number: AG003MDT(AGN-PC-0NJTEW)
Synonyms:
MDL No:
Molecular Formula: C11H9N5O2
Molecular Weight: 243.2215

Identification/Properties


Properties
Storage:
Room Temperature;
Computed Properties
Molecular Weight:
243.226g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
243.076g/mol
Monoisotopic Mass:
243.076g/mol
Topological Polar Surface Area:
113A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
365
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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