5-Bromo-1,2-difluoro-3-methoxybenzene

C7H5BrF2OCAS 261762-35-0223.02 g/mol

Open in Covalent MOL file
OBrFF
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 6 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
261762-35-0
SMILES
COc1cc(Br)cc(F)c1F
InChIKey
UDTVFZBQFYOZST-UHFFFAOYSA-N
InChI
InChI=1S/C7H5BrF2O/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzene, 5-bromo-1,2-difluoro-3-methoxy-
  • 5-Bromo-2,3-difluoroanisole
  • 1-Bromo-3,4-difluoro-5-methoxybenzene

Work with 5-Bromo-1,2-difluoro-3-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

4-Bromo-1-fluoro-2-methoxybenzene103291-07-259 % similar 4-Bromo-2-fluoroanisole2357-52-059 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-959 % similar 1-Bromo-3,4,5-trimethoxybenzene2675-79-853 % similar 1,2-Difluoro-3-methoxybenzene134364-69-548 % similar 5-Bromo-2,3-difluorophenol186590-26-148 % similar 2,3,5,6-Tetrafluoroanisole2324-98-348 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromo-2,6-difluoroanisole104197-14-0 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 3-(Difluoromethoxy)bromobenzene262587-05-3

Elsewhere

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