2-Bromo-3-fluorophenol

C₆H₄BrFOCAS 443-81-2191.00 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
Boiling point: 123 °C (at 50 Torr)
logP: 2.29Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

443-81-2

SMILES

Oc1cccc(F)c1Br

InChIKey

LMFRSLRJXLATRL-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Phenol, 2-bromo-3-fluoro-

Work with 2-Bromo-3-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

2-Bromo-1,3-difluorobenzene64248-56-265 % similar 2-Fluorophenol367-12-456 % similar 3-Fluoro-1,2-benzenediol363-52-056 % similar 2-Bromo-3-fluoroaniline111721-75-652 % similar 3-Fluoro-2-methylphenol443-87-852 % similar 2-Bromo-1-fluoro-3-methylbenzene59907-13-052 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-348 % similar 2-Bromo-1-(bromomethyl)-3-fluorobenzene1184918-22-648 % 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 2-Bromo-6-fluorophenol2040-89-3 4-Bromo-2-fluorophenol2105-94-4 2-Bromo-4-fluorophenol496-69-5

Elsewhere

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