4-Bromo-3-hydroxybenzaldehyde

C₇H₅BrO₂CAS 20035-32-9201.02 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

Properties

Molecular formula: C₇H₅BrO₂
Molar mass: 201.02 g/mol
Exact mass: 199.9473 Da
logP: 1.97Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

20035-32-9

SMILES

C1=CC(=C(C=C1C=O)O)Br

InChIKey

USCBCBWUZOPHNV-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)3-7(6)10/h1-4,10H

Weigh it out

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

Work with 4-Bromo-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

Protocatechuic aldehyde139-85-564 % similar 4-Bromo-3-chlorobenzaldehyde120077-69-256 % similar 4-Bromo-3-fluorobenzaldehyde133059-43-556 % similar 3-Chloro-4-hydroxybenzaldehyde2420-16-856 % similar 4-Bromo-3-nitrobenzaldehyde163596-75-653 % similar 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-552 % similar 3-Fluoro-4-hydroxybenzaldehyde405-05-052 % similar 3-Bromo-4-fluorobenzaldehyde77771-02-952 % similar

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

Same formula

5-Bromosalicylaldehyde1761-61-1 5-Bromosalicylaldehyde17691-61-1 3-Bromo-2-hydroxybenzaldehyde1829-34-1 2-Bromo-4-hydroxybenzaldehyde22532-60-1 2-Bromo-6-hydroxybenzaldehyde22532-61-2 4-Bromo-2-hydroxybenzaldehyde22532-62-3 5-Bromo-1,3-benzodioxole2635-13-4 3-Bromo-4-hydroxybenzaldehyde2973-78-6

Elsewhere

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