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

C₇H₅BrF₂OCAS 261762-35-0223.02 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₅BrF₂O
Molar mass: 223.02 g/mol
Exact mass: 221.9492 Da
logP: 2.74Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

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 1-Bromo-2,5-difluoro-4-methoxybenzene202865-60-9 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-0

Elsewhere

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