1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-, ethyl ester


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 3-(difluoromethyl)-, ethyl ester
CAS Number: 151733-96-9
Product Number: AG00AMCV(AGN-PC-0O4BHQ)
Synonyms:
MDL No:
Molecular Formula: C7H8F2N2O2
Molecular Weight: 190.1474

Identification/Properties


Computed Properties
Molecular Weight:
190.15g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
190.055g/mol
Monoisotopic Mass:
190.055g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
189
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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