Home Carboxys 4-methoxy-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid

4-methoxy-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid

CAS No.:
956728-58-8
Catalog Number:
AG00IJBW
Molecular Formula:
C12H9F3N2O3
Molecular Weight:
286.2067
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Product Description
Catalog Number:
AG00IJBW
Chemical Name:
4-methoxy-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-3-carboxylic acid
CAS Number:
956728-58-8
Molecular Formula:
C12H9F3N2O3
Molecular Weight:
286.2067
MDL Number:
MFCD00004282
IUPAC Name:
4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylic acid
InChI:
InChI=1S/C12H9F3N2O3/c1-20-9-6-17(16-10(9)11(18)19)8-4-2-3-7(5-8)12(13,14)15/h2-6H,1H3,(H,18,19)
InChI Key:
QLQJQGAAFKMHKM-UHFFFAOYSA-N
SMILES:
COc1cn(nc1C(=O)O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
364  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.057g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
286.21g/mol
Monoisotopic Mass:
286.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties