3-(3,5-DIFLUOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID


Chemical Name: 3-(3,5-DIFLUOROPHENYL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
CAS Number: 1276541-99-1
Product Number: AG019F1W(AG019F1W)
Synonyms:
MDL No:
Molecular Formula: C10H6F2N2O2
Molecular Weight: 224.1636

Identification/Properties


Computed Properties
Molecular Weight:
224.167g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
224.04g/mol
Monoisotopic Mass:
224.04g/mol
Topological Polar Surface Area:
66A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
268
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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