chempirical

3-Bromo-4-fluorobenzenemethanol

C7H6BrFOCAS 77771-03-0205.03 g/mol

Open in Covalent MOL file
HOFBr
AlcoholAryl halide

Properties

Molecular formula
C7H6BrFO
Molar mass
205.03 g/mol
Exact mass
203.9586 Da
logP
2.08Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
77771-03-0
SMILES
OCc1ccc(F)c(Br)c1
InChIKey
HNVVROFWONXXGO-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrFO/c8-6-3-5(4-10)1-2-7(6)9/h1-3,10H,4H2

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Names and synonyms

3 names
  • Benzenemethanol, 3-bromo-4-fluoro-
  • 3-Bromo-4-fluorobenzyl alcohol
  • (3-Bromo-4-fluorophenyl)methanol

Work with 3-Bromo-4-fluorobenzenemethanol

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

3,4-Difluorobenzenemethanol85118-05-464 % similar 3-Bromo-4-hydroxybenzenemethanol29922-56-358 % similar (4-Fluoro-3-methoxyphenyl)methanol128495-45-451 % similar 2,4-Dibromo-1-fluorobenzene1435-53-650 % similar 1-Bromo-2,5-difluorobenzene399-94-050 % similar 3-Bromo-4-fluorobenzonitrile79630-23-247 % similar 2-Bromo-4-chloro-1-fluorobenzene1996-30-147 % similar 2-Bromo-1-fluoro-4-methylbenzene452-62-047 % similar

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

Same formula

4-Bromo-1-fluoro-2-methoxybenzene103291-07-2 3-Bromo-4-fluoroanisole1161497-23-9 2-Bromo-5-fluorobenzenemethanol202865-66-5 (3-Bromo-5-fluorophenyl)methanol216755-56-5 4-Bromo-2-fluoroanisole2357-52-0 2-Bromo-4-fluoro-1-methoxybenzene452-08-4 1-Bromo-2-fluoro-4-methoxybenzene458-50-4 5-Bromo-2-fluorobenzenemethanol99725-13-0

Elsewhere

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