chempirical

2-Bromo-5-methoxybenzyl bromide

C8H8Br2OCAS 19614-12-1279.96 g/mol

Open in Covalent MOL file
OBrBr
Alkyl halideAryl halideEther

Properties

Molecular formula
C8H8Br2O
Molar mass
279.96 g/mol
Exact mass
277.8942 Da
Melting point
85–87 °C
logP
3.35Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
19614-12-1
SMILES
COc1ccc(Br)c(CBr)c1
InChIKey
MURVUTUZSUEIGI-UHFFFAOYSA-N
InChI
InChI=1S/C8H8Br2O/c1-11-7-2-3-8(10)6(4-7)5-9/h2-4H,5H2,1H3

Weigh it out

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Names and synonyms

6 names
  • Benzene, 1-bromo-2-(bromomethyl)-4-methoxy-
  • Anisole, 4-bromo-3-(bromomethyl)-
  • 1-Bromo-2-(bromomethyl)-4-methoxybenzene
  • 4-Bromo-3-(bromomethyl)-1-methoxybenzene
  • 5-Methoxy-2-bromobenzyl bromide
  • 3-Methoxy-6-bromobenzyl bromide

Work with 2-Bromo-5-methoxybenzyl 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

2-Bromo-4,5-dimethoxybenzyl bromide53207-00-459 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-458 % similar 4-Bromo-3-methylanisole27060-75-956 % similar 2-Bromo-5-methoxybenzenamine59557-92-556 % similar 1-Bromo-2-fluoro-4-methoxybenzene458-50-455 % similar 1-Bromo-2-chloro-4-methoxybenzene50638-46-555 % similar 2-Bromo-5-methoxyphenol63604-94-455 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-553 % similar

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

Elsewhere

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