4-Bromo-3-fluoroanisole

C₇H₆BrFOCAS 408-50-4205.03 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₇H₆BrFO
Molar mass: 205.03 g/mol
Exact mass: 203.9586 Da
logP: 2.60Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed10% of notifiers
H315 Causes skin irritation90% of notifiers
H319 Causes serious eye irritation90% of notifiers
H335 May cause respiratory irritation80% of notifiers
H412 Harmful to aquatic life with long lasting effects10% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

408-50-4

SMILES

COC1=CC(=C(C=C1)Br)F

InChIKey

XANVIFOBBVAKCY-UHFFFAOYSA-N

InChI

InChI=1S/C7H6BrFO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names

1-Bromo-2-fluoro-4-methoxybenzene

Work with 4-Bromo-3-fluoroanisole

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1-Bromo-2-fluoro-4-methoxybenzene458-50-4

Similar compounds

1,2-Difluoro-4-methoxybenzene115144-40-664 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-460 % similar 2-Fluoro-1,4-dimethoxybenzene82830-49-760 % similar 4-Bromo-3-methylanisole27060-75-958 % similar 3-Fluoro-4-methylanisole405-06-158 % similar 2-Fluoro-4-methoxyaniline458-52-658 % similar 2-Bromo-5-methoxybenzenamine59557-92-558 % similar 1-Bromo-2-fluoro-4-(trifluoromethoxy)benzene168971-68-458 % similar

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

Same formula

4-Bromo-1-fluoro-2-methoxybenzene103291-07-2 3-Bromo-4-fluoroanisole1161497-23-9 4-Bromo-2-fluorobenzyl alcohol188582-62-9 2-Bromo-5-fluorobenzenemethanol202865-66-5 (3-Bromo-5-fluorophenyl)methanol216755-56-5 (4-Bromo-3-fluorophenyl)methanol222978-01-0 2-Bromo-4-fluorobenzyl alcohol229027-89-8 4-Bromo-2-fluoroanisole2357-52-0

Elsewhere

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