chempirical

4-Trifluoromethylbenzoic acid sodium salt

C8H4F3NaO2CAS 25832-58-0212.10 g/mol

Open in Covalent MOL file
O−OFFFNa+
Alkyl halideCarboxylic acid

Properties

Molecular formula
C8H4F3NaO2
Molar mass
212.10 g/mol
Exact mass
212.0061 Da
logP
2.02Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
25832-58-0
SMILES
[O-]C(=O)c1ccc(C(F)(F)F)cc1.[Na+]
InChIKey
OUQJNNNNEGBRCB-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O2.Na/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);

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Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Benzoic acid, 4-(trifluoromethyl)-, sodium salt (1:1)
  • p-Toluic acid, α,α,α-trifluoro-, sodium salt
  • Benzoic acid, 4-(trifluoromethyl)-, sodium salt
  • Sodium 4-(trifluoromethyl)benzoate
  • Sodium α,α,α-trifluoro-p-toluate

Work with 4-Trifluoromethylbenzoic acid sodium salt

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sodium p-fluorobenzoate499-90-159 % similar Sodium benzoate532-32-155 % similar Sodium P-hydroxybenzoate114-63-655 % similar Sodium P-aminobenzoate555-06-655 % similar 4-(Trifluoromethyl)benzamide1891-90-353 % similar 4-(Trifluoromethyl)benzoyl fluoride368-94-552 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-750 % similar 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethanone383-53-950 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sodium 3-trifluoromethylbenzoate69226-41-1

Elsewhere

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