1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 5-amino-1-(4-fluorophenyl)-, ethyl ester
CAS Number: 138907-68-3
Product Number: AG0019SC(AGN-PC-0JUYPD)
Synonyms:
MDL No:
Molecular Formula: C12H12FN3O2
Molecular Weight: 249.2410

Identification/Properties


Computed Properties
Molecular Weight:
249.245g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
249.091g/mol
Monoisotopic Mass:
249.091g/mol
Topological Polar Surface Area:
70.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
295
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

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NMR Spectrum


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