2,3-Difluoro-4-hydroxybenzoic acid

C₇H₄F₂O₃CAS 175968-39-5174.10 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

Danger

H301 Toxic if swallowed11.1% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H315 Causes skin irritation88.9% of notifiers
H319 Causes serious eye irritation88.9% of notifiers
H335 May cause respiratory irritation88.9% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175968-39-5

SMILES

C1=CC(=C(C(=C1C(=O)O)F)F)O

InChIKey

XIZIDHMVDRRFBT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2,3-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

2,3,4-Trifluorobenzoic acid61079-72-965 % similar 4-Chloro-2,3-difluorobenzoic acid150444-94-361 % similar 4-Amino-2,3-difluorobenzoic acid194804-85-861 % similar 4-Bromo-2,3-difluorobenzoic acid194804-91-661 % similar 2,3-Difluoro-4-methylbenzoic acid261763-37-561 % similar 2,3,4-Trihydroxybenzoic acid610-02-656 % similar 5-Fluorosalicylic acid345-16-456 % similar 4-Fluoro-2-hydroxybenzoic acid345-29-956 % similar

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

Same formula

3,4-Difluoro-2-hydroxybenzoic acid189283-51-0 2,6-Difluoro-4-hydroxybenzoic acid214917-68-7

Elsewhere

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