Home Carboxys 1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid

1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
956779-12-7
Catalog Number:
AG00IJC5
Molecular Formula:
C17H13FN2O2
Molecular Weight:
296.2957
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Product Description
Catalog Number:
AG00IJC5
Chemical Name:
1-(4-fluorophenyl)-3-(4-methylphenyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
956779-12-7
Molecular Formula:
C17H13FN2O2
Molecular Weight:
296.2957
MDL Number:
MFCD06357437
IUPAC Name:
1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C17H13FN2O2/c1-11-2-4-12(5-3-11)16-15(17(21)22)10-20(19-16)14-8-6-13(18)7-9-14/h2-10H,1H3,(H,21,22)
InChI Key:
SLCBEWVMMQNFTN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nn(cc1C(=O)O)c1ccc(cc1)F
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.096g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
296.301g/mol
Monoisotopic Mass:
296.096g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties