2,6-Difluoro-4-hydroxybenzoic acid

C₇H₄F₂O₃CAS 214917-68-7174.10 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

Properties

Molecular formula: C₇H₄F₂O₃
Molar mass: 174.10 g/mol
Exact mass: 174.0129 Da
logP: 1.37Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation87.5% of notifiers

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

214917-68-7

SMILES

C1=C(C=C(C(=C1F)C(=O)O)F)O

InChIKey

NFIQGYBXSJQLSR-UHFFFAOYSA-N

InChI

InChI=1S/C7H4F2O3/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2,10H,(H,11,12)

Weigh it out

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

Work with 2,6-Difluoro-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

3,3',5,5'-Tetrafluorobiphenyl-4,4'-dicarboxylic acid31381-91-670 % similar 2,4,6-Trifluorobenzoic acid28314-80-968 % similar 4-Bromo-2,6-difluorobenzoic acid183065-68-163 % similar 2-Fluoro-4-hydroxybenzoic acid65145-13-359 % similar 2,6-Difluorobenzoic acid385-00-259 % similar Phloroglucinol carboxylic acid83-30-759 % similar 2,6-Difluoro-4-methoxybenzoic acid123843-65-258 % similar 3,6-Difluorophthalic acid651-97-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Difluoro-4-hydroxybenzoic acid175968-39-5 3,4-Difluoro-2-hydroxybenzoic acid189283-51-0

Elsewhere

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