1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-methyl-


Chemical Name: 1H-Pyrazole-4-carboxylic acid, 1-(4-fluorophenyl)-5-methyl-
CAS Number: 217073-76-2
Product Number: AG006ZXQ(AGN-PC-0L8A36)
Synonyms:
MDL No:
Molecular Formula: C11H9FN2O2
Molecular Weight: 220.1998

Identification/Properties


Computed Properties
Molecular Weight:
220.203g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
220.065g/mol
Monoisotopic Mass:
220.065g/mol
Topological Polar Surface Area:
55.1A^2
Heavy Atom Count:
16
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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