3-Bromo-4,5-dimethoxybenzaldehyde

C₉H₉BrO₃CAS 6948-30-7245.07 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₉H₉BrO₃
Molar mass: 245.07 g/mol
Exact mass: 243.9735 Da
Melting point: 59.5 °C
logP: 2.28Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

6948-30-7

SMILES

COc1cc(C=O)cc(Br)c1OC

InChIKey

ICVODPFGWCUVJC-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3

Weigh it out

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

Names and synonyms

6 names

Benzaldehyde, 3-bromo-4,5-dimethoxy-
Veratraldehyde, 5-bromo-
3,4-Dimethoxy-5-bromobenzaldehyde
5-Bromo-3,4-dimethoxybenzaldehyde
5-Bromoveratraldehyde
NSC 55757

Work with 3-Bromo-4,5-dimethoxybenzaldehyde

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

5-Bromovanillin2973-76-467 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-063 % similar 3-Iodo-4,5-dimethoxybenzaldehyde32024-15-061 % similar Myristicinaldehyde5780-07-457 % similar 4-Acetoxy-3,5-dimethoxybenzaldehyde53669-33-354 % similar 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-550 % similar 3,4-Dihydroxy-5-methoxybenzaldehyde3934-87-049 % similar 3-Methoxy-4-methylbenzaldehyde24973-22-647 % similar

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

Same formula

Methyl 4-bromo-2-methoxybenzoate139102-34-4 4-Bromo-3,5-dimethoxybenzaldehyde31558-40-4 Methyl 2-bromo-5-methoxybenzoate35450-36-3 6-Bromoveratraldehyde5392-10-9 2-Bromo-4-methoxybenzeneacetic acid66916-99-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook