Bromoveratrole
Properties
- Molecular formula
- C8H9BrO2
- Molar mass
- 217.06 g/mol
- Exact mass
- 215.9786 Da
- Density
- 1.5068 g/mL (at 20 °C)
- Melting point
- 123 °C
- Boiling point
- 254.5 °C
- logP
- 2.47Crippen estimate
- Polar surface area
- 18.5 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Identifiers
CAS number
2859-78-1SMILES
COc1ccc(Br)cc1OCInChIKey
KBTMGSMZIKLAHN-UHFFFAOYSA-NInChI
InChI=1S/C8H9BrO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
11 names
- Benzene, 4-bromo-1,2-dimethoxy-
- Veratrole, 4-bromo-
- 4-Bromo-1,2-dimethoxybenzene
- 1-Bromo-3,4-dimethoxybenzene
- 4-Bromoveratrole
- 3,4-Dimethoxyphenyl bromide
- 3,4-Dimethoxybromobenzene
- 4-Bromo-2-methoxyanisole
- 3,4-Dimethoxy-1-bromobenzene
- NSC 36284
- 1,2-Dimethoxy-4-bromobenzene
Work with Bromoveratrole
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
2,4-Dibromoanisole21702-84-169 % similar
4-Bromo-2-methylanisole14804-31-067 % similar
4-Bromo-2-methoxybenzenamine59557-91-467 % similar
4-Bromo-1-fluoro-2-methoxybenzene103291-07-264 % similar
5-Bromo-2-chloroanisole16817-43-964 % similar
4-Bromo-2-fluoroanisole2357-52-064 % similar
5-Bromo-2-methoxyphenol37942-01-164 % similar
4-Bromo-1-methoxy-2-(3-methoxypropoxy)benzene173336-76-063 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds