chempirical

3,5-Dichlorosalicylic acid

C7H4Cl2O3CAS 320-72-9207.01 g/mol

Open in Covalent MOL file
OHOClClHO
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H4Cl2O3
Molar mass
207.01 g/mol
Exact mass
205.9537 Da
Melting point
220–221 °C
logP
2.40Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
320-72-9
SMILES
O=C(O)c1cc(Cl)cc(Cl)c1O
InChIKey
CNJGWCQEGROXEE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)

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Names and synonyms

5 names
  • Benzoic acid, 3,5-dichloro-2-hydroxy-
  • Salicylic acid, 3,5-dichloro-
  • 3,5-Dichloro-2-hydroxybenzoic acid
  • 2-Hydroxy-3,5-dichlorobenzoic acid
  • NSC 30109

Work with 3,5-Dichlorosalicylic acid

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

2,3,5-Trichlorobenzoic acid50-73-767 % similar 3-Chlorosalicylic acid1829-32-964 % similar 3,5-Dichloroanthranilic acid2789-92-663 % similar 2,5-Dichlorobenzoic acid50-79-361 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-160 % similar 4,5-Dichlorophthalic acid56962-08-460 % similar 2,4,6-Trichlorobenzoic acid50-43-159 % similar 2,4-Dichlorobenzoic acid50-84-059 % similar

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

Same formula

3,5-Dichloro-4-hydroxybenzoic acid3336-41-2 3,6-Dichlorosalicylic acid3401-80-7

Elsewhere

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