1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride

C8H2Cl6O2 — CID 139777365

IUPAC1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride
SMILESO=C(Cl)C1C(Cl)=C(Cl)C=C(Cl)C1(Cl)C(=O)Cl
InChIInChI=1S/C8H2Cl6O2/c9-2-1-3(10)8(14,7(13)16)4(5(2)11)6(12)15/h1,4H
InChIKeyGZARASJIUBGAQR-UHFFFAOYSA-N
MW342.82 g/mol
LogP3.94
Rot. Bonds2

About 1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride

1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride (PubChem CID 139777365) has the molecular formula C8H2Cl6O2 and a molecular weight of 342.82 g/mol. Its IUPAC name is 1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride.

Molecular Properties

Compound Name1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride
PubChem CID139777365
Molecular FormulaC8H2Cl6O2
Molecular Weight342.82 g/mol
Exact Mass339.82
IUPAC Name1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride
SMILESO=C(Cl)C1C(Cl)=C(Cl)C=C(Cl)C1(Cl)C(=O)Cl
InChIInChI=1S/C8H2Cl6O2/c9-2-1-3(10)8(14,7(13)16)4(5(2)11)6(12)15/h1,4H
InChIKeyGZARASJIUBGAQR-UHFFFAOYSA-N
XLogP3.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.82
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride?
The IUPAC name of 1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride (CID 139777365) is 1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride.
What is the SMILES notation for 1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride?
The canonical SMILES for 1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride is O=C(Cl)C1C(Cl)=C(Cl)C=C(Cl)C1(Cl)C(=O)Cl.
What is the InChIKey of 1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride?
The InChIKey is GZARASJIUBGAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl6O2/c9-2-1-3(10)8(14,7(13)16)4(5(2)11)6(12)15/h1,4H.
What are the key properties of 1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride?
1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride has a molecular weight of 342.82 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6-tetrachlorocyclohexa-3,5-diene-1,2-dicarbonyl chloride is sourced from PubChem (CID 139777365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).