chempirical

3,5-Dichloro-4-hydroxybenzoic acid

C7H4Cl2O3CAS 3336-41-2207.01 g/mol

Open in Covalent MOL file
OHOClOHCl
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H4Cl2O3
Molar mass
207.01 g/mol
Exact mass
205.9537 Da
Melting point
255–256 °C (decomposes)
logP
2.40Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
3336-41-2
SMILES
O=C(O)c1cc(Cl)c(O)c(Cl)c1
InChIKey
AULKDLUOQCUNOK-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)

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Names and synonyms

3 names
  • Benzoic acid, 3,5-dichloro-4-hydroxy-
  • NSC 21185
  • 4-Hydroxy-3,5-dichlorobenzoic acid

Work with 3,5-Dichloro-4-hydroxybenzoic 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

3,4,5-Trichlorobenzoic acid51-39-868 % similar 3-Chloro-4-hydroxy-5-methoxybenzoic acid62936-23-668 % similar 4-Amino-3,5-dichlorobenzoic acid56961-25-263 % similar 3,4-Dichlorobenzoic acid51-44-560 % similar 3-Chloro-4-hydroxybenzoic acid3964-58-759 % similar Gallic acid149-91-759 % similar 2,3,5-Trichloro-6-hydroxybenzoic acid40932-60-358 % similar 3-Chlorosalicylic acid1829-32-956 % similar

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

Same formula

3,5-Dichlorosalicylic acid320-72-9 3,6-Dichlorosalicylic acid3401-80-7

Elsewhere

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