chempirical

Dichlone

C10H4Cl2O2CAS 117-80-6227.04 g/mol

Open in Covalent MOL file
OClClO
AlkeneKetoneVinyl halide

Properties

Molecular formula
C10H4Cl2O2
Molar mass
227.04 g/mol
Exact mass
225.9588 Da
Melting point
195 °C
Boiling point
275 °C (at 2 Torr)
logP
2.75Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
117-80-6
SMILES
O=C1C(Cl)=C(Cl)C(=O)c2ccccc21
InChIKey
SVPKNMBRVBMTLB-UHFFFAOYSA-N
InChI
InChI=1S/C10H4Cl2O2/c11-7-8(12)10(14)6-4-2-1-3-5(6)9(7)13/h1-4H

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Names and synonyms

17 names · show all
  • 1,4-Naphthalenedione, 2,3-dichloro-
  • 1,4-Naphthoquinone, 2,3-dichloro-
  • 2,3-Dichloro-1,4-naphthalenedione
  • USR 604
  • Compound 604
  • 2,3-Dichloro-1,4-naphthoquinone
  • Phygon
  • Phygon seed protectant
  • Sanquinon
  • Diclone
  • Algistat
  • Phygon XL
  • 2,3-Dichloro-1,4-dihydro-1,4-dioxonaphthalene
  • Algistat (quinone)
  • NSC 537
  • 2,3-Dichloro-p-naphthoquinone
  • 2,3-Dichloro-1,4-dihydronaphthalene-1,4-dione

Work with Dichlone

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

Quinoclamine2797-51-569 % similar 2-Chloro-1,4-naphthoquinone1010-60-250 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-550 % similar Phthaloyl chloride88-95-950 % similar 2-Chloro-3-[trans-4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione153977-22-145 % similar 2-(Dicyanomethylene)-1,3-indandione16954-74-845 % similar Anthraquinone84-65-143 % similar 1,4-Diamino-2,3-dihydroanthraquinone81-63-043 % similar

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

Elsewhere

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