4-Bromo-2,6-difluoroanisole

C₇H₅BrF₂OCAS 104197-14-0223.02 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

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

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 2-Methoxy-3-fluoro-5-bromopyridine124432-70-853 % similar 1,3-Difluoro-2-methoxybenzene437-82-152 % similar 4-Bromo-1-fluoro-2-methoxybenzene103291-07-252 % similar 1,4-Dibromo-3,5-difluorobenzene128259-71-250 % similar

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

Same formula

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 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook