3-Bromo-2-fluorophenol

C₆H₄BrFOCAS 156682-53-0191.00 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

156682-53-0

SMILES

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

InChIKey

MEZFCUMYQXLFOV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Bromo-2-fluoro-phenol

Work with 3-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

1-Bromo-2,3-difluorobenzene38573-88-554 % similar 2-Amino-3-bromophenol116435-77-950 % similar 3-Bromo-2-fluorobenzenamine58534-95-550 % similar 1-Bromo-2-fluoro-3-methylbenzene59907-12-950 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-847 % similar 1-Bromo-3-(bromomethyl)-2-fluorobenzene149947-16-047 % similar 3-Bromo-2-fluorobenzoic acid161957-56-845 % similar 2,6-Dibromophenol608-33-344 % 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-3-fluorophenol443-81-2 2-Bromo-4-fluorophenol496-69-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook