2-Bromo-4,6-difluoroanisole

C₇H₅BrF₂OCAS 202865-59-6223.02 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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 44 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

202865-59-6

SMILES

COC1=C(C=C(C=C1Br)F)F

InChIKey

MFXWQGHKLXJIIP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-Bromo-4,6-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-Bromo-5-fluoro-4-methoxyaniline875664-44-164 % similar 2-Bromo-6-fluoroanisole845829-94-956 % similar 1-(2-Bromo-4,6-difluorophenoxy)-2-chloroethane175203-19-754 % similar 1,2-Dibromo-3,5-difluorobenzene10105-60-952 % similar 1-Bromo-2,3,5-trifluorobenzene133739-70-552 % similar 1,2-Dibromo-3,5-difluorobenzene139215-43-352 % similar 2-Bromo-5-fluoroanisole450-88-450 % similar 2-Bromo-4-fluoro-1-methoxybenzene452-08-450 % 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 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-0 3-(Difluoromethoxy)bromobenzene262587-05-3

Elsewhere

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