2-Bromo-5-hydroxy-4-methoxybenzaldehyde

C₈H₇BrO₃CAS 2973-59-3231.04 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
Melting point: 115 °C
logP: 1.98Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

2973-59-3

SMILES

COc1cc(Br)c(C=O)cc1O

InChIKey

AHYSXUDLJOFNAB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzaldehyde, 2-bromo-5-hydroxy-4-methoxy-
p-Anisaldehyde, 2-bromo-5-hydroxy-
Isovanillin, 6-bromo-
6-Bromoisovanillin
2-Bromo-5-hydroxy-p-anisaldehyde

Work with 2-Bromo-5-hydroxy-4-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

6-Bromoveratraldehyde5392-10-973 % similar Vanillin121-33-551 % similar Isovanillin621-59-051 % similar 2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde2973-75-351 % similar 6-Bromo-1,3-benzodioxole-5-carboxaldehyde15930-53-750 % similar 5-Bromo-2-methoxybenzaldehyde25016-01-749 % similar 2-Hydroxy-4-methoxybenzaldehyde673-22-349 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-048 % similar

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

Same formula

Methyl 4-bromo-3-hydroxybenzoate106291-80-9 2-(4-Bromophenoxy)acetic acid1878-91-7 2-Bromo-5-methoxybenzoic acid22921-68-2 5-Bromo-2-methoxybenzoic acid2476-35-9 5-Bromovanillin2973-76-4 3-Bromo-4-hydroxyphenylacetic acid38692-80-7 5-Bromo-2-hydroxybenzoic acid methyl ester4068-76-2 4-Bromomandelic acid6940-50-7

Elsewhere

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