2-Bromo-4,5-dimethoxybenzyl bromide

C₉H₁₀Br₂O₂CAS 53207-00-4309.99 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₉H₁₀Br₂O₂
Molar mass: 309.99 g/mol
Exact mass: 307.9048 Da
Melting point: 84–85.5 °C
logP: 3.36Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

53207-00-4

SMILES

COc1cc(Br)c(CBr)cc1OC

InChIKey

PAJNRELOTRXFAQ-UHFFFAOYSA-N

InChI

InChI=1S/C9H10Br2O2/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-4H,5H2,1-2H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-bromo-2-(bromomethyl)-4,5-dimethoxy-
Veratrole, 4-bromo-5-(bromomethyl)-
1-Bromo-2-(bromomethyl)-4,5-dimethoxybenzene
1-Bromo-2-bromomethyl-4,5-dimethoxybenzene

Work with 2-Bromo-4,5-dimethoxybenzyl 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

1,2-Dibromo-4,5-dimethoxybenzene37895-73-162 % similar 2-Bromo-5-methoxybenzyl bromide19614-12-159 % similar 4-Bromo-2,5-dimethoxyphenethylamine66142-81-250 % similar 6-Bromoveratraldehyde5392-10-946 % similar 2-Bromoanisole578-57-442 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-441 % similar 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-541 % similar 2,4-Dibromoanisole21702-84-141 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook