4-Bromo-2,6-difluoroanisole

C7H5BrF2OCAS 104197-14-0223.02 g/mol

Open in Covalent MOL file
OFBrF
Aryl halideEther

Properties

Molecular formula
C7H5BrF2O
Molar mass
223.02 g/mol
Exact mass
221.9492 Da
logP
2.74Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
104197-14-0
SMILES
COc1c(F)cc(Br)cc1F
InChIKey
CDOQKISJPOWBKC-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrF2O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3

Weigh it out

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

Names and synonyms

6 names
  • Benzene, 5-bromo-1,3-difluoro-2-methoxy-
  • 5-Bromo-1,3-difluoro-2-methoxybenzene
  • 5-Bromo-2-methoxy-1,3-difluorobenzene
  • 3,5-Difluoro-4-methoxybromobenzene
  • 4-Bromo-2,6-difluorophenyl methyl ether
  • 1-Bromo-3,5-difluoro-4-methoxybenzene

Work with 4-Bromo-2,6-difluoroanisole

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

4-Bromo-2-fluoro-6-nitroanisole74266-66-365 % similar 3,5-Difluoro-4-methoxyaniline363-47-357 % similar 4-Bromo-2-fluoroanisole2357-52-057 % similar 1-Bromo-3,4,5-trimethoxybenzene2675-79-856 % similar 2,4,6-Tribromoanisole607-99-856 % similar 4-Bromo-2,6-dimethylanisole14804-38-754 % similar 2-Methoxy-3-fluoro-5-bromopyridine124432-70-853 % similar 5-Bromo-1,3-difluoro-2-methylbenzene179617-08-452 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,6-difluorobenzyl alcohol162744-59-4 1-Bromo-2-(difluoromethoxy)benzene175278-33-8 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-5 2-Bromo-4,6-difluoroanisole202865-59-6 1-Bromo-2,5-difluoro-4-methoxybenzene202865-60-9 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-0 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-0 3-(Difluoromethoxy)bromobenzene262587-05-3

Elsewhere

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