chempirical

Oxyclozanide

C13H6Cl5NO3CAS 2277-92-1401.44 g/mol

Open in Covalent MOL file
ONHClClOHOHClClCl
Aryl halidePhenol

Properties

Molecular formula
C13H6Cl5NO3
Molar mass
401.44 g/mol
Exact mass
398.8790 Da
Melting point
210 °C
logP
6.00Crippen estimate
Polar surface area
73.0 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
2

Identifiers

CAS number
2277-92-1
SMILES
OC(=Nc1cc(Cl)cc(Cl)c1O)c1c(O)c(Cl)cc(Cl)c1Cl
InChIKey
JYWIYHUXVMAGLG-UHFFFAOYSA-N
InChI
InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)

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

Names and synonyms

11 names
  • Benzamide, 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxy-
  • Salicylanilide, 3,3′,5,5′,6-pentachloro-2′-hydroxy-
  • 2,3,5-Trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
  • 3,5,6,3′,5′-Pentachloro-2,2′-dihydroxybenzanilide
  • Zanil
  • 3,3′,5,5′,6-Pentachloro-2,2′-dihydroxybenzanilide
  • Oxyclozanid
  • Diplin
  • ICI 46638
  • Zanilox
  • 3,3′,5,5′,6-Pentachloro-2′-hydroxysalicylanilide

Work with Oxyclozanide

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-Trichloro-6-hydroxybenzoic acid40932-60-350 % similar 2,4,6-Trichlorophenol88-06-244 % similar 3,5-Dichlorosalicylic acid320-72-943 % similar 2,3,4,6-Tetrachlorophenol58-90-242 % similar 2,3,5-Trichlorobenzoic acid50-73-741 % similar 2,3,5,6-Tetrachlorophenol935-95-541 % similar 2,3,5-Trichlorophenol933-78-840 % similar 1,2,3,5-Tetrachlorobenzene634-90-239 % similar

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

Elsewhere

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