3-Bromo-5-ethoxy-4-hydroxybenzaldehyde

C₉H₉BrO₃CAS 3111-37-3245.07 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether Phenol

Properties

Molecular formula: C₉H₉BrO₃
Molar mass: 245.07 g/mol
Exact mass: 243.9735 Da
logP: 2.37Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

3111-37-3

SMILES

CCOC1=C(C(=CC(=C1)C=O)Br)O

InChIKey

GWEFTCNMUHHQLP-UHFFFAOYSA-N

InChI

InChI=1S/C9H9BrO3/c1-2-13-8-4-6(5-11)3-7(10)9(8)12/h3-5,12H,2H2,1H3

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Work with 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde

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 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-560 % similar Ethylvanillin121-32-455 % similar 3,4-Diethoxybenzaldehyde2029-94-953 % similar 7-Bromobenzo[1,3]dioxole-5-carbaldehyde19522-96-450 % similar 3-Ethoxy-4-methoxybenzaldehyde1131-52-848 % similar 4-Ethoxy-3-methoxybenzaldehyde120-25-248 % similar 3-Ethoxysalicylaldehyde492-88-648 % 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 4-Bromo-2,5-dimethoxybenzaldehyde31558-41-5 Methyl 2-bromo-5-methoxybenzoate35450-36-3 Methyl 3-bromo-4-methoxybenzoate35450-37-4 6-Bromoveratraldehyde5392-10-9 2-Bromo-1-(4-hydroxy-3-(hydroxymethyl)phenyl)ethan-1-one62932-94-9 2-Bromo-4-methoxybenzeneacetic acid66916-99-2

Elsewhere

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