chempirical

5-Trifluoromethoxysalicylic acid

C8H5F3O4CAS 129644-57-1222.12 g/mol

Open in Covalent MOL file
OFFFOOHOH
Alkyl halideCarboxylic acidEtherPhenol

Properties

Molecular formula
C8H5F3O4
Molar mass
222.12 g/mol
Exact mass
222.0140 Da
logP
1.99Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
129644-57-1
SMILES
C1=CC(=C(C=C1OC(F)(F)F)C(=O)O)O
InChIKey
HNYMLXYADOZCNY-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3O4/c9-8(10,11)15-4-1-2-6(12)5(3-4)7(13)14/h1-3,12H,(H,13,14)

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

Names and synonyms

1 names
  • 2-Hydroxy-5-(trifluoromethoxy)benzoic acid

Work with 5-Trifluoromethoxysalicylic acid

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

5-Methoxysalicylic acid2612-02-462 % similar 4-(Trifluoromethoxy)benzoic acid330-12-158 % similar 3-(Trifluoromethoxy)benzoic acid1014-81-956 % similar 4-Hydroxy-6-(trifluoromethoxy)-3-quinolinecarboxylic acid175203-86-854 % similar 5-Fluorosalicylic acid345-16-454 % similar Gentisic acid490-79-953 % similar 4-Hydroxyisophthalic acid636-46-453 % similar 5-Iodosalicylic acid119-30-250 % similar

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

Elsewhere

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