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

C₇H₃Cl₃O₃CAS 40932-60-3241.45 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

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

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

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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