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1-(4-Methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid

CAS No.:
98534-83-9
Catalog Number:
AG005UF0
Molecular Formula:
C12H9F3N2O3
Molecular Weight:
286.2067
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
≥ 99% (HPLC)
1 week
United States
$121
- +
5g
≥ 99% (HPLC)
1 week
United States
$386
- +
Product Description
Catalog Number:
AG005UF0
Chemical Name:
1-(4-Methoxyphenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid
CAS Number:
98534-83-9
Molecular Formula:
C12H9F3N2O3
Molecular Weight:
286.2067
MDL Number:
MFCD03934806
IUPAC Name:
1-(4-methoxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C12H9F3N2O3/c1-20-8-4-2-7(3-5-8)17-10(12(13,14)15)9(6-16-17)11(18)19/h2-6H,1H3,(H,18,19)
InChI Key:
KABDVMIQQQDCGP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1ncc(c1C(F)(F)F)C(=O)O
Properties
Complexity:
356  
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:
2.3  
Properties