2-Bromo-1,3-dimethoxybenzene

C₈H₉BrO₂CAS 16932-45-9217.06 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₉BrO₂
Molar mass: 217.06 g/mol
Exact mass: 215.9786 Da
Melting point: 94–95 °C
Boiling point: 273 °C
logP: 2.47Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

16932-45-9

SMILES

COc1cccc(OC)c1Br

InChIKey

VHVYSMMZHORFKU-UHFFFAOYSA-N

InChI

InChI=1S/C8H9BrO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

5 names

Benzene, 2-bromo-1,3-dimethoxy-
1-Bromo-2,6-dimethoxybenzene
2,6-Dimethoxybromobenzene
2-Bromo-3-methoxyanisole
1,3-Dimethoxy-2-bromobenzene

Work with 2-Bromo-1,3-dimethoxybenzene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Bromoanisole578-57-458 % similar 1,2-Dimethoxybenzene91-16-757 % similar 1,2,3-Trimethoxybenzene634-36-657 % similar 2-Bromo-1,3,5-trimethoxybenzene1131-40-456 % similar 1-Bromo-2-methoxynaphthalene3401-47-655 % similar 2,6-Dimethoxytoluene5673-07-454 % similar Syringol91-10-152 % similar 2-Chloroanisole766-51-850 % similar

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

Same formula

1-Bromo-2,4-dimethoxybenzene17715-69-4 1-Bromo-2,5-dimethoxybenzene25245-34-5 Bromoveratrole2859-78-1 2-(4-Bromophenoxy)ethanol34743-88-9 5-Bromo-2-methoxybenzenemethanol80866-82-6

Elsewhere

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