chempirical

2,4-Dibromoanisole

C7H6Br2OCAS 21702-84-1265.93 g/mol

Open in Covalent MOL file
OBrBr
Aryl halideEther

Properties

Molecular formula
C7H6Br2O
Molar mass
265.93 g/mol
Exact mass
263.8785 Da
Melting point
61 °C
Boiling point
100–102 °C (at 1 Torr)
logP
3.22Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
21702-84-1
SMILES
COc1ccc(Br)cc1Br
InChIKey
XGXUGXPKRBQINS-UHFFFAOYSA-N
InChI
InChI=1S/C7H6Br2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 2,4-dibromo-1-methoxy-
  • Anisole, 2,4-dibromo-
  • 2,4-Dibromo-1-methoxybenzene
  • 1,5-Dibromo-2-methoxybenzene
  • 1,3-Dibromo-4-methoxybenzene

Work with 2,4-Dibromoanisole

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

Bromoveratrole2859-78-169 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-564 % similar 4-Bromo-2-methylanisole14804-31-062 % similar 2-Bromo-4-methylanisole22002-45-562 % similar 4-Bromo-2-fluoroanisole2357-52-060 % similar 5-Bromo-2-methoxyphenol37942-01-160 % similar 2-Bromo-4-fluoro-1-methoxybenzene452-08-460 % similar 2-Bromo-4-chloroanisole60633-25-260 % similar

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

Same formula

3,5-Dibromo-4-methylphenol13979-81-2 (3,5-Dibromophenyl)methanol145691-59-4 2,6-Dibromo-4-methylphenol2432-14-6 2,4-Dibromobenzenemethanol666747-06-4 1,3-Dibromo-5-methoxybenzene74137-36-3

Elsewhere

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