4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile | SBID = 2415 | Compound | Custom Molecule

Struc Structure

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Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2: 81.72
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3): 1.56
Charge: 0.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 0.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: C8Cl2N2O2
M / g/mol: 227.0038
Complexity:
Number of Conformers:

Identifiers

  • Tags: typical guest
  • Name: 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
  • Preferred Abbreviation: 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
  • IUPAC Name:
  • CAS:
  • CID: -1016
  • InChiKey: HZNVUJQVZSTENZ-UHFFFAOYSA-N
  • InChi: InChI=1S/C8Cl2N2O2/c9-5-6(10)8(14)4(2-12)3(1-11)7(5)13
  • CanoSmiles: N#CC1=C(C#N)C(=O)C(=C(C1=O)Cl)Cl
  • IsoSmiles: ClC(C(C(C#N)=C1C#N)=O)=C(Cl)C1=O