2,4,6-Tribromo-3-hydroxybenzaldehyde

C₇H₃Br₃O₂CAS 2737-22-6358.81 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

Properties

Molecular formula: C₇H₃Br₃O₂
Molar mass: 358.81 g/mol
Exact mass: 355.7683 Da
Melting point: 119.5 °C
logP: 3.49Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

2737-22-6

SMILES

O=Cc1c(Br)cc(Br)c(O)c1Br

InChIKey

FAWOIFAFFUDNJX-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Br3O2/c8-4-1-5(9)7(12)6(10)3(4)2-11/h1-2,12H

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Names and synonyms

1 names

Benzaldehyde, 2,4,6-tribromo-3-hydroxy-

Work with 2,4,6-Tribromo-3-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

2,4,6-Tribromoresorcinol2437-49-259 % similar 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-555 % similar 3,5-Dibromosalicylaldehyde90-59-549 % similar 2,4,6-Tribromo-3-methylphenol4619-74-348 % similar 3-Bromo-5-chlorosalicylaldehyde19652-32-546 % similar 5-Bromovanillin2973-76-443 % similar 3-Bromo-4-hydroxybenzaldehyde2973-78-642 % similar 4-Amino-2,6-dibromophenol609-21-241 % similar

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

Elsewhere

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