3-(4-Fluorophenoxy)benzyl bromide

C₁₃H₁₀BrFOCAS 65295-58-1281.12 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₁₃H₁₀BrFO
Molar mass: 281.12 g/mol
Exact mass: 279.9899 Da
logP: 4.51Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

65295-58-1

SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)F)CBr

InChIKey

JGFSTQUUDSBQCO-UHFFFAOYSA-N

InChI

InChI=1S/C13H10BrFO/c14-9-10-2-1-3-13(8-10)16-12-6-4-11(15)5-7-12/h1-8H,9H2

Weigh it out

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

Work with 3-(4-Fluorophenoxy)benzyl bromide

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

3-Phenoxybenzyl bromide51632-16-772 % similar 3-Fluorobenzyl bromide456-41-759 % similar 3-Bromo-4'-fluorodiphenyl ether50904-38-658 % similar 3-(Difluoromethoxy)benzyl bromide72768-95-757 % similar 1-Fluoro-4-phenoxybenzene330-84-753 % similar 3-Methoxybenzyl bromide874-98-653 % similar 1-(Bromomethyl)-3-(trifluoromethoxy)benzene159689-88-053 % similar 3-Benzyloxybenzyl bromide1700-31-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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