2,3,5-Trichloro-6-hydroxybenzoic acid

C7H3Cl3O3CAS 40932-60-3241.45 g/mol

Open in Covalent MOL file
OHOHOClClCl
Aryl halideCarboxylic acidPhenol

Properties

Molecular formula
C7H3Cl3O3
Molar mass
241.45 g/mol
Exact mass
239.9148 Da
Melting point
207 °C
logP
3.05Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
40932-60-3
SMILES
O=C(O)c1c(O)c(Cl)cc(Cl)c1Cl
InChIKey
IIHCUZVBIMTHEB-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl3O3/c8-2-1-3(9)6(11)4(5(2)10)7(12)13/h1,11H,(H,12,13)

Weigh it out

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Names and synonyms

4 names
  • Benzoic acid, 2,3,5-trichloro-6-hydroxy-
  • Salicylic acid, 3,5,6-trichloro-
  • 3,5,6-Trichlorosalicylic acid
  • 3,5,6-Trichloro-2-hydroxybenzoic acid

Work with 2,3,5-Trichloro-6-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

3,6-Dichlorosalicylic acid3401-80-761 % similar 3,5-Dichloro-4-hydroxybenzoic acid3336-41-258 % similar 2,3,6-Trichlorobenzoic acid50-31-758 % similar 3,6-Dichloro-1,2,4-benzenetricarboxylic acid137071-78-457 % similar 2,3,4,5-Tetrachlorobenzoic acid50-74-856 % similar 3,5-Dichlorosalicylic acid320-72-956 % similar 3,4,5-Trichlorobenzoic acid51-39-855 % similar 3-Chlorosalicylic acid1829-32-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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