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

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

CAS No.:
956181-48-9
Catalog Number:
AG00IJ8R
Molecular Formula:
C17H13FN2O2
Molecular Weight:
296.2957
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00IJ8R
Chemical Name:
1-(4-fluorophenyl)-3-(3-methylphenyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
956181-48-9
Molecular Formula:
C17H13FN2O2
Molecular Weight:
296.2957
MDL Number:
MFCD06357819
IUPAC Name:
1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C17H13FN2O2/c1-11-3-2-4-12(9-11)16-15(17(21)22)10-20(19-16)14-7-5-13(18)6-8-14/h2-10H,1H3,(H,21,22)
InChI Key:
ZQVPGGFOHOFXAB-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)n1cc(c(n1)c1cccc(c1)C)C(=O)O
Properties
Complexity:
398  
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