chempirical

5-Bromo-2-fluorobenzenemethanol

C7H6BrFOCAS 99725-13-0205.03 g/mol

Open in Covalent MOL file
HOBrF
AlcoholAryl halide

Properties

Molecular formula
C7H6BrFO
Molar mass
205.03 g/mol
Exact mass
203.9586 Da
Boiling point
82–87 °C (at 0.4 Torr)
logP
2.08Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
99725-13-0
SMILES
OCc1cc(Br)ccc1F
InChIKey
UOSBHJFKMGLWGX-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2

Weigh it out

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

Names and synonyms

3 names
  • Benzenemethanol, 5-bromo-2-fluoro-
  • 5-Bromo-2-fluorobenzyl alcohol
  • (5-Bromo-2-fluorophenyl)methanol

Work with 5-Bromo-2-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

2,5-Difluorobenzenemethanol75853-20-260 % similar 5-Bromo-2-hydroxybenzyl alcohol2316-64-558 % similar (5-Bromo-2-fluorobenzyl)amine hydrochloride202865-69-856 % similar 2,4-Dibromobenzenemethanol666747-06-455 % similar 1-Bromo-3,4-difluorobenzene348-61-854 % similar 5-Bromo-2-fluorophenol112204-58-752 % similar 5-Bromo-2-methoxybenzenemethanol80866-82-651 % similar 2,4-Dibromo-1-fluorobenzene1435-53-650 % 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 3-Bromo-4-fluorobenzenemethanol77771-03-0

Elsewhere

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