2,4-Dichloro-6-hydroxybenzaldehyde

C₇H₄Cl₂O₂CAS 78443-72-8191.01 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Phenol

Properties

Molecular formula: C₇H₄Cl₂O₂
Molar mass: 191.01 g/mol
Exact mass: 189.9588 Da
logP: 2.51Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

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

78443-72-8

SMILES

C1=C(C=C(C(=C1O)C=O)Cl)Cl

InChIKey

XFYKHXQQNRESHU-UHFFFAOYSA-N

InChI

InChI=1S/C7H4Cl2O2/c8-4-1-6(9)5(3-10)7(11)2-4/h1-3,11H

Weigh it out

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Work with 2,4-Dichloro-6-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-Trichlorobenzaldehyde24473-00-570 % similar 2-Chloro-6-hydroxybenzaldehyde18362-30-663 % similar 2,4-Dichloro-6-fluorobenzaldehyde681435-09-658 % similar 3,5-Dichlorosalicylaldehyde90-60-853 % similar 2,3,5-Trichlorophenol933-78-852 % similar 4-Chloro-2-hydroxybenzaldehyde2420-26-052 % similar 2,4-Dichlorobenzaldehyde874-42-048 % similar 2,4,6-Trihydroxybenzaldehyde487-70-748 % similar

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

Same formula

3,5-Dichloro-4-hydroxybenzaldehyde2314-36-5 2,6-Dichlorobenzoic acid50-30-6 2,3-Dichlorobenzoic acid50-45-3 2,5-Dichlorobenzoic acid50-79-3 2,4-Dichlorobenzoic acid50-84-0 3,5-Dichlorobenzoic acid51-36-5 3,4-Dichlorobenzoic acid51-44-5 4-Chlorophenyl chloroformate7693-45-0

Elsewhere

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