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

C₇H₅BrF₂OCAS 202865-61-0223.02 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

202865-61-0

SMILES

COc1cc(F)c(Br)c(F)c1

InChIKey

GEJMNTXYFBBTFH-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF2O/c1-11-4-2-5(9)7(8)6(10)3-4/h2-3H,1H3

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

Names and synonyms

3 names

Benzene, 2-bromo-1,3-difluoro-5-methoxy-
4-Bromo-3,5-difluoroanisole
2,6-Difluoro-4-methoxybromobenzene

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

1-Bromo-2-fluoro-4-methoxybenzene458-50-457 % similar 2-Bromo-1,3,5-trimethoxybenzene1131-40-456 % similar 1,2-Difluoro-4-methoxybenzene115144-40-654 % similar 3-Bromo-4-fluoroanisole1161497-23-952 % similar 2,6-Difluoro-4-methoxybenzonitrile123843-66-352 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-250 % similar 2-Bromo-1,3,5-trifluorobenzene2367-76-250 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-750 % similar

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

Same formula

4-Bromo-2,6-difluoroanisole104197-14-0 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 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-0

Elsewhere

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