chempirical

1-Bromo-2-fluoro-4-methoxybenzene

C7H6BrFOCAS 458-50-4205.03 g/mol

Open in Covalent MOL file
OBrF
Aryl halideEther

Properties

Molecular formula
C7H6BrFO
Molar mass
205.03 g/mol
Exact mass
203.9586 Da
logP
2.60Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
458-50-4
SMILES
COc1ccc(Br)c(F)c1
InChIKey
XANVIFOBBVAKCY-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrFO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1-bromo-2-fluoro-4-methoxy-
  • Anisole, 4-bromo-3-fluoro-
  • 4-Bromo-3-fluoroanisole
  • 3-Fluoro-4-bromoanisole

Work with 1-Bromo-2-fluoro-4-methoxybenzene

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

1,2-Difluoro-4-methoxybenzene115144-40-664 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-460 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-760 % similar 4-Bromo-3-methylanisole27060-75-958 % similar 2-Bromo-5-methoxybenzenamine59557-92-558 % similar 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-057 % similar 2-Fluoro-4-methoxyphenol167683-93-456 % similar 1-Chloro-2-fluoro-4-methoxybenzene501-29-156 % 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 3-Bromo-4-fluorobenzenemethanol77771-03-0 5-Bromo-2-fluorobenzenemethanol99725-13-0

Elsewhere

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