5-Bromo-2-hydroxy-3-methoxybenzaldehyde

C₈H₇BrO₃CAS 5034-74-2231.04 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether Phenol

Properties

Molecular formula: C₈H₇BrO₃
Molar mass: 231.04 g/mol
Exact mass: 229.9579 Da
logP: 1.98Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

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

5034-74-2

SMILES

COC1=CC(=CC(=C1O)C=O)Br

InChIKey

MMFKBTPDEVLIOR-UHFFFAOYSA-N

InChI

InChI=1S/C8H7BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3

Weigh it out

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Work with 5-Bromo-2-hydroxy-3-methoxybenzaldehyde

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

2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde2973-75-363 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-761 % similar 4-Bromo-2-methoxybenzaldehyde43192-33-259 % similar 3,5-Dibromosalicylaldehyde90-59-558 % similar 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde17028-61-457 % similar Syringaldehyde134-96-356 % similar ortho-Vanillin148-53-855 % similar 5-Bromovanillin2973-76-455 % similar

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

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 3-Bromo-5-methoxybenzoic acid157893-14-6 2-(4-Bromophenoxy)acetic acid1878-91-7 O-Bromophenoxyacetic acid1879-56-7 Methyl 5-bromo-3-hydroxybenzoate192810-12-1 6-Bromo-2-hydroxy-3-methoxybenzaldehyde20035-41-0 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9

Elsewhere

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