3-Bromo-5-fluoroanisole

C₇H₆BrFOCAS 29578-39-0205.03 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

H226 Flammable liquid and vapor33.3% of notifiers
H227 Combustible liquid33.3% of notifiers
H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

29578-39-0

SMILES

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

InChIKey

XVNQVSGOIUYOPB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-Bromo-5-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

Similar compounds

1-Bromo-3,5-dimethoxybenzene20469-65-268 % similar 1-Fluoro-3,5-dimethoxybenzene52189-63-668 % similar 1,3-Dibromo-5-methoxybenzene74137-36-368 % similar 1,3-Difluoro-5-methoxybenzene93343-10-368 % similar 1-Bromo-3-methoxy-5-methylbenzene29578-83-457 % similar 1,3-Dibromo-5-fluorobenzene1435-51-456 % similar 1-Bromo-3,5-difluorobenzene461-96-156 % similar 1-Chloro-3-fluoro-5-methoxybenzene202925-08-455 % 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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