5-Bromo-2-fluorophenol

C₆H₄BrFOCAS 112204-58-7191.00 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
logP: 2.29Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

112204-58-7

SMILES

C1=CC(=C(C=C1Br)O)F

InChIKey

YPTHSYKJDRMAJY-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Phenol, 5-bromo-2-fluoro-

Work with 5-Bromo-2-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

4-Fluoro-1,3-dihydroxybenzene103068-41-362 % similar 4-Bromocatechol17345-77-660 % similar 1-Bromo-3,4-difluorobenzene348-61-860 % similar 2,4-Dibromo-1-fluorobenzene1435-53-656 % similar 2,5-Difluorophenol2713-31-756 % similar 5-Bromo-2,3-difluorophenol186590-26-155 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-353 % similar 3-Iodo-4-fluorobromobenzene116272-41-452 % similar

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

Same formula

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-3-fluorophenol443-81-2 2-Bromo-4-fluorophenol496-69-5

Elsewhere

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