2-Bromo-4-fluorophenol

C₆H₄BrFOCAS 496-69-5191.00 g/mol

Open in Covalent MOL file

Aryl halide Phenol

Properties

Molecular formula: C₆H₄BrFO
Molar mass: 191.00 g/mol
Exact mass: 189.9430 Da
Melting point: 43 °C
Boiling point: 89 °C (at 1 Torr)
logP: 2.29Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

496-69-5

SMILES

Oc1ccc(F)cc1Br

InChIKey

MEYRABVEYCFHHB-UHFFFAOYSA-N

InChI

InChI=1S/C6H4BrFO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H

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

Names and synonyms

1 names

Phenol, 2-bromo-4-fluoro-

Work with 2-Bromo-4-fluorophenol

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

1,2-Dibromo-4-fluorobenzene2369-37-160 % similar 4-Fluoro-1,2-benzenediol367-32-860 % similar 2,6-Dibromo-4-fluorophenol344-20-758 % similar 2-Chloro-4-fluorophenol1996-41-457 % similar 2,4-Difluorophenol367-27-156 % similar 1-Bromo-2,5-difluorobenzene399-94-056 % similar 2-Bromo-1,4-benzenediol583-69-756 % similar 2,4-Dibromophenol615-58-756 % similar

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

Same formula

5-Bromo-2-fluorophenol112204-58-7 4-Bromo-3-fluorophenol121219-03-2 2-Bromo-5-fluorophenol147460-41-1 3-Bromo-2-fluorophenol156682-53-0 2-Bromo-6-fluorophenol2040-89-3 4-Bromo-2-fluorophenol2105-94-4 2-Bromo-3-fluorophenol443-81-2

Elsewhere

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