chempirical

3-Fluoro-1,2-benzenediol

C6H5FO2CAS 363-52-0128.10 g/mol

Open in Covalent MOL file
HOFHO
Aryl halidePhenol

Properties

Molecular formula
C6H5FO2
Molar mass
128.10 g/mol
Exact mass
128.0274 Da
Melting point
71–71.5 °C
logP
1.24Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Identifiers

CAS number
363-52-0
SMILES
Oc1cccc(F)c1O
InChIKey
DXOSJQLIRGXWCF-UHFFFAOYSA-N
InChI
InChI=1S/C6H5FO2/c7-4-2-1-3-5(8)6(4)9/h1-3,8-9H

Weigh it out

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

Names and synonyms

5 names
  • 1,2-Benzenediol, 3-fluoro-
  • Pyrocatechol, 3-fluoro-
  • 3-Fluorocatechol
  • 3-Fluoro-2-hydroxyphenol
  • 1,2-Dihydroxy-3-fluorobenzene

Work with 3-Fluoro-1,2-benzenediol

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

2,6-Difluorophenol28177-48-271 % similar Pyrogallol87-66-162 % similar 2-Fluorophenol367-12-461 % similar 2-Bromo-6-fluorophenol2040-89-358 % similar 2-Chloro-6-fluorophenol2040-90-658 % similar 2-Bromo-3-fluorophenol443-81-256 % similar 3-Fluoro-2-methylphenol443-87-856 % similar 2-Amino-6-fluorophenol53981-25-256 % similar

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

Same formula

4-Fluoro-1,3-dihydroxybenzene103068-41-3 4-Fluoro-1,2-benzenediol367-32-8

Elsewhere

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