chempirical

Tetrafluoro-4-hydroxybenzoic acid

C7H2F4O3CAS 652-34-6210.08 g/mol

Open in Covalent MOL file
FFOHFFOHO
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H2F4O3
Molar mass
210.08 g/mol
Exact mass
209.9940 Da
logP
1.65Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
652-34-6
SMILES
C1(=C(C(=C(C(=C1F)F)O)F)F)C(=O)O
InChIKey
FTLHGQOBAPTEHE-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F4O3/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h12H,(H,13,14)

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Names and synonyms

1 names
  • 2,3,5,6-Tetrafluoro-4-hydroxy-benzoic acid

Work with Tetrafluoro-4-hydroxybenzoic 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

2,3,5,6-Tetrafluoro-1,4-benzenedicarboxylic acid652-36-877 % similar Pentafluorobenzoic acid602-94-874 % similar Tetrafluoroisophthalic acid1551-39-971 % similar Tetrafluorophthalic acid652-03-967 % similar 2,3,5,6-Tetrafluoro-4-methylbenzoic acid652-32-461 % similar 4-Amino-2,3,5,6-tetrafluorobenzoic acid944-43-461 % similar 3-Chloro-2,4,5,6-tetrafluorobenzoic acid5360-81-657 % similar 2,3,5,6-Tetrafluorobenzoic acid652-18-655 % similar

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

Elsewhere

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