2-Bromo-5-fluoroanisole

C₇H₆BrFOCAS 450-88-4205.03 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 swallowed85.4% of notifiers
H315 Causes skin irritation18.8% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, 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

450-88-4

SMILES

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

InChIKey

KGYXKRGMSUHYCY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-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

2-Bromo-4-fluoro-1-methoxybenzene452-08-472 % similar 4-Fluoro-1,2-dimethoxybenzene398-62-964 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-460 % similar 2,4-Difluoroanisole452-10-860 % similar 1,4-Difluoro-2-methoxybenzene75626-17-460 % similar 4-Fluoro-2-methoxyaniline450-91-958 % similar 4-Bromo-3-methoxyphenol102127-34-456 % similar 1-Bromo-4-chloro-2-methoxybenzene174913-09-856 % 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

PubChem CAS Common Chemistry NIST WebBook