3-Phenoxybenzyl bromide

C₁₃H₁₁BrOCAS 51632-16-7263.13 g/mol

Open in Covalent MOL file

Alkyl halide Ether

Properties

Molecular formula: C₁₃H₁₁BrO
Molar mass: 263.13 g/mol
Exact mass: 261.9993 Da
Boiling point: 52 °C (at 0.4 Torr)
logP: 4.37Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Identifiers

CAS number

51632-16-7

SMILES

BrCc1cccc(Oc2ccccc2)c1

InChIKey

UJUNUASMYSTBSK-UHFFFAOYSA-N

InChI

InChI=1S/C13H11BrO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H,10H2

Weigh it out

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

Names and synonyms

6 names

Benzene, 1-(bromomethyl)-3-phenoxy-
1-(Bromomethyl)-3-phenoxybenzene
m-Phenoxybenzyl bromide
α-Bromo-m-tolyl phenyl ether
m-(Bromomethyl)phenyl phenyl ether
3-Phenoxy-α-bromotoluene

Work with 3-Phenoxybenzyl 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-Benzyloxybenzyl bromide1700-31-868 % similar 3-Phenoxybenzyl alcohol13826-35-261 % similar 3-Phenoxybenzyl chloride53874-66-161 % similar 1,3-Diphenoxybenzene3379-38-258 % similar 1,3-Bis(bromomethyl)benzene626-15-358 % similar (3-Phenoxyphenyl)acetonitrile51632-29-258 % similar Benzyl bromide100-39-054 % similar 1,1′-Oxybis[4-(bromomethyl)benzene]4542-75-054 % similar

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

Same formula

4-Bromo-α-phenylbenzenemethanol29334-16-5 1-Benzyloxy-3-bromobenzene53087-13-1 1-(Benzyloxy)-4-bromobenzene6793-92-6

Elsewhere

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