1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane

C12H13Cl6P — CID 88636119

IUPAC1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.Pc1ccccc1
InChIInChI=1S/C6H6Cl6.C6H7P/c7-1-2(8)4(10)6(12)5(11)3(1)9;7-6-4-2-1-3-5-6/h1-6H;1-5H,7H2
InChIKeyQJANDUYRIZDHDI-UHFFFAOYSA-N
MW400.93 g/mol
LogP4.83
Rot. Bonds

About 1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane

1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane (PubChem CID 88636119) has the molecular formula C12H13Cl6P and a molecular weight of 400.93 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane.

Molecular Properties

Compound Name1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane
PubChem CID88636119
Molecular FormulaC12H13Cl6P
Molecular Weight400.93 g/mol
Exact Mass397.89
IUPAC Name1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane
SMILESClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.Pc1ccccc1
InChIInChI=1S/C6H6Cl6.C6H7P/c7-1-2(8)4(10)6(12)5(11)3(1)9;7-6-4-2-1-3-5-6/h1-6H;1-5H,7H2
InChIKeyQJANDUYRIZDHDI-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane?
The IUPAC name of 1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane (CID 88636119) is 1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane.
What is the SMILES notation for 1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane?
The canonical SMILES for 1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane is ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl.Pc1ccccc1.
What is the InChIKey of 1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane?
The InChIKey is QJANDUYRIZDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl6.C6H7P/c7-1-2(8)4(10)6(12)5(11)3(1)9;7-6-4-2-1-3-5-6/h1-6H;1-5H,7H2.
What are the key properties of 1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane?
1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane has a molecular weight of 400.93 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexachlorocyclohexane;phenylphosphane is sourced from PubChem (CID 88636119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).