chempirical

Sodium 2,4,6-trichlorophenate

C6H2Cl3NaOCAS 3784-03-0219.42 g/mol

Open in Covalent MOL file
O−ClClClNa+
Aryl halidePhenol

Properties

Molecular formula
C6H2Cl3NaO
Molar mass
219.42 g/mol
Exact mass
217.9069 Da
Melting point
185 °C
logP
2.97Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
3784-03-0
SMILES
[O-]c1c(Cl)cc(Cl)cc1Cl.[Na+]
InChIKey
WKIKLYKTZATKOK-UHFFFAOYSA-N
InChI
InChI=1S/C6H3Cl3O.Na/c7-3-1-4(8)6(10)5(9)2-3;/h1-2,10H;

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Names and synonyms

5 names
  • Phenol, 2,4,6-trichloro-, sodium salt (1:1)
  • Phenol, 2,4,6-trichloro-, sodium salt
  • 2,4,6-Trichlorophenol sodium salt
  • Sodium 2,4,6-trichlorophenoxide
  • Sodium 2,4,6-trichlorophenolate

Work with Sodium 2,4,6-trichlorophenate

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

1,2,3,5-Tetrachlorobenzene634-90-246 % similar 2-Bromo-1,3,5-trichlorobenzene19393-96-542 % similar 2,4,6-Trichloroaniline634-93-542 % similar 2,4,6-Trichlorophenol88-06-242 % similar Sodium 3,5-dichloro-2-hydroxybenzenesulfonate54970-72-842 % similar (2,4,6-Trichlorophenyl)hydrazine5329-12-441 % similar Sodium pentachlorophenolate131-52-240 % similar 2,4,6-Trichloronitrobenzene18708-70-839 % similar

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

Same formula

Sodium 2,4,5-trichlorophenolate136-32-3

Elsewhere

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