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

C₇H₅BrF₂OCAS 202865-60-9223.02 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 irritation28.6% of notifiers

Aggregated from 7 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

202865-60-9

SMILES

COc1cc(F)c(Br)cc1F

InChIKey

OOTXNQBDWFJMNN-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF2O/c1-11-7-3-5(9)4(8)2-6(7)10/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-2,5-difluoro-4-methoxy-
4-Bromo-2,5-difluoroanisole

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

1,4-Difluoro-2,5-dimethoxybenzene199866-90-571 % similar 4-Bromo-5-fluoro-2-methoxyaniline330794-03-165 % similar 1-Bromo-4-chloro-2-fluoro-5-methoxy-benzene146447-18-963 % similar 1,4-Dibromo-2,5-difluorobenzene327-51-558 % similar 1,2-Difluoro-4,5-dimethoxybenzene203059-80-758 % similar 1-Bromo-4-fluoro-5-isopropyl-2-methoxybenzene944317-92-454 % similar 1-Bromo-2,4,5-trifluorobenzene327-52-654 % similar 4-Bromo-1-fluoro-2-methoxybenzene103291-07-253 % 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 2-Bromo-4,6-difluoroanisole202865-59-6 2-Bromo-1,3-difluoro-5-methoxybenzene202865-61-0 5-Bromo-1,2-difluoro-3-methoxybenzene261762-35-0 3-(Difluoromethoxy)bromobenzene262587-05-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook