chempirical

3,5-Dichlorosalicylaldehyde

C7H4Cl2O2CAS 90-60-8191.01 g/mol

Open in Covalent MOL file
OClClHO
AldehydeAryl halidePhenol

Properties

Molecular formula
C7H4Cl2O2
Molar mass
191.01 g/mol
Exact mass
189.9588 Da
Melting point
95 °C
logP
2.51Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
90-60-8
SMILES
O=Cc1cc(Cl)cc(Cl)c1O
InChIKey
FABVMBDCVAJXMB-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2O2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H

Weigh it out

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

Names and synonyms

6 names
  • Benzaldehyde, 3,5-dichloro-2-hydroxy-
  • Salicylaldehyde, 3,5-dichloro-
  • 3,5-Dichloro-2-hydroxybenzaldehyde
  • 2-Hydroxy-3,5-dichlorobenzaldehyde
  • NSC 96393
  • 2,4-Dichloro-6-formylphenol

Work with 3,5-Dichlorosalicylaldehyde

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

3-Bromo-5-chlorosalicylaldehyde19652-32-564 % similar 5-Chloro-2-hydroxy-3-methylbenzaldehyde23602-63-364 % similar 2,3,5-Trichlorobenzaldehyde56961-75-261 % similar 2,4,6-Trichlorophenol88-06-259 % similar 2,5-Dichlorobenzaldehyde6361-23-553 % similar 2,4-Dichlorobenzaldehyde874-42-053 % similar 5-Chlorosalicylaldehyde635-93-850 % similar 2,4-Dichloro-6-nitrophenol609-89-249 % similar

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

Same formula

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

Elsewhere

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