chempirical

3-Bromo-4-fluoroanisole

C7H6BrFOCAS 1161497-23-9205.03 g/mol

Open in Covalent MOL file
OFBr
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
1161497-23-9
SMILES
COC1=CC(=C(C=C1)F)Br
InChIKey
LYIGJBQYDRJPIR-UHFFFAOYSA-N
InChI
InChI=1S/C7H6BrFO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 2-Bromo-1-fluoro-4-methoxybenzene

Work with 3-Bromo-4-fluoroanisole

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-Fluoro-2,4-dimethoxybenzene17715-70-760 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-560 % similar 1-Fluoro-4-methoxy-2-methylbenzene2338-54-758 % similar 2-Bromo-4-methoxyphenol17332-11-556 % similar 2-Chloro-1-fluoro-4-methoxybenzene202925-07-356 % similar 3-Bromo-4-chloroanisole2732-80-156 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-455 % similar

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

Same formula

4-Bromo-1-fluoro-2-methoxybenzene103291-07-2 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 5-Bromo-2-fluorobenzenemethanol99725-13-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook