1-Bromo-4,5-difluoro-2-methoxybenzene

C₇H₅BrF₂OCAS 202865-58-5223.02 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

Danger

H301 Toxic if swallowed86.7% of notifiers
H315 Causes skin irritation13.3% of notifiers
H319 Causes serious eye irritation13.3% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P405, P501

Identifiers

CAS number

202865-58-5

SMILES

COc1cc(F)c(F)cc1Br

InChIKey

DKARISQFDBAJEZ-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

2 names

Benzene, 1-bromo-4,5-difluoro-2-methoxy-
2-Bromo-4,5-difluoroanisole

Work with 1-Bromo-4,5-difluoro-2-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

1,2-Difluoro-4,5-dimethoxybenzene203059-80-767 % similar 1,4-Dibromo-2,5-dimethoxybenzene2674-34-267 % similar 1-Bromo-4-fluoro-5-isopropyl-2-methoxybenzene944317-92-466 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-560 % similar 4-Bromo-5-fluoro-2-methoxyaniline330794-03-156 % similar 2-Bromo-5-fluoroanisole450-88-455 % similar 2-Bromo-4-fluoro-1-methoxybenzene452-08-455 % similar 1-Bromo-4-chloro-2-fluoro-5-methoxy-benzene146447-18-955 % 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 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 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-0 3-(Difluoromethoxy)bromobenzene262587-05-3

Elsewhere

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