1H-Pyrazole-3-carboxylic acid, 5-amino-1-phenyl-, ethyl ester


Chemical Name: 1H-Pyrazole-3-carboxylic acid, 5-amino-1-phenyl-, ethyl ester
CAS Number: 866837-96-9
Product Number: AG004KLH(AGN-PC-046I5G)
Synonyms:
MDL No:
Molecular Formula: C12H13N3O2
Molecular Weight: 231.2505

Identification/Properties


Properties
BP:
413°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
231.255g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
231.101g/mol
Monoisotopic Mass:
231.101g/mol
Topological Polar Surface Area:
70.1A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
267
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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