4-Fluoro-1,3-dihydroxybenzene

C₆H₅FO₂CAS 103068-41-3128.10 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₅FO₂
Molar mass: 128.10 g/mol
Exact mass: 128.0274 Da
logP: 1.24Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed98.6% of notifiers
H315 Causes skin irritation98.6% of notifiers
H319 Causes serious eye irritation98.6% of notifiers
H335 May cause respiratory irritation97.1% of notifiers

Aggregated from 70 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, 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

103068-41-3

SMILES

C1=CC(=C(C=C1O)O)F

InChIKey

XPOIJNIQXJYQOV-UHFFFAOYSA-N

InChI

InChI=1S/C6H5FO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H

Weigh it out

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

Names and synonyms

1 names

4-Fluoro-1,3-benzenediol

Work with 4-Fluoro-1,3-dihydroxybenzene

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

3,4-Difluorophenol2713-33-965 % similar 5-Bromo-2-fluorophenol112204-58-762 % similar 2,5-Difluorophenol2713-31-760 % similar Hydroxyquinol533-73-357 % similar 3-Chloro-4-fluorophenol2613-23-256 % similar 3-Bromo-4-fluorophenol27407-11-056 % similar 4-Fluoro-3-methylphenol452-70-056 % similar 3-Amino-4-fluorophenol62257-16-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-1,2-benzenediol363-52-0 4-Fluoro-1,2-benzenediol367-32-8

Elsewhere

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