3-Bromo-4'-fluorodiphenyl ether

C12H8BrFOCAS 50904-38-6267.10 g/mol

Open in Covalent MOL file
FOBr
Aryl halideEther

Properties

Molecular formula
C12H8BrFO
Molar mass
267.10 g/mol
Exact mass
265.9743 Da
logP
4.38Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, P501

Identifiers

CAS number
50904-38-6
SMILES
Fc1ccc(Oc2cccc(Br)c2)cc1
InChIKey
ADGMRCLDJLCOKF-UHFFFAOYSA-N
InChI
InChI=1S/C12H8BrFO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H

Weigh it out

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Names and synonyms

5 names
  • 1-Bromo-3-(4-fluorophenoxy)benzene
  • Benzene, 1-bromo-3-(4-fluorophenoxy)-
  • 3-Bromophenyl 4-fluorophenyl ether
  • 3-Bromo-4′-fluorodiphenyl ether
  • 3-(4-Fluorophenoxy)bromobenzene

Work with 3-Bromo-4'-fluorodiphenyl ether

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-Fluoro-4-phenoxybenzene330-84-759 % similar 3-(4-Fluorophenoxy)benzyl bromide65295-58-158 % similar 1,1′-Oxybis[4-fluorobenzene]330-93-856 % similar 1-Bromo-3-fluorobenzene1073-06-955 % similar 3-(Difluoromethoxy)bromobenzene262587-05-353 % similar 1-Bromo-3-(trifluoromethoxy)benzene2252-44-049 % similar 3-Bromoanisole2398-37-048 % similar 4-Bromodiphenyl ether101-55-348 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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