chloro bis(2-chlorophenyl) phosphate

C12H8Cl3O4P — CID 68561656

IUPACchloro bis(2-chlorophenyl) phosphate
SMILESO=P(OCl)(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C12H8Cl3O4P/c13-9-5-1-3-7-11(9)17-20(16,19-15)18-12-8-4-2-6-10(12)14/h1-8H
InChIKeyLHMPTYXLQYHEKN-UHFFFAOYSA-N
MW353.52 g/mol
LogP5.73
Rot. Bonds5

About chloro bis(2-chlorophenyl) phosphate

chloro bis(2-chlorophenyl) phosphate (PubChem CID 68561656) has the molecular formula C12H8Cl3O4P and a molecular weight of 353.52 g/mol. Its IUPAC name is chloro bis(2-chlorophenyl) phosphate.

Molecular Properties

Compound Namechloro bis(2-chlorophenyl) phosphate
PubChem CID68561656
Molecular FormulaC12H8Cl3O4P
Molecular Weight353.52 g/mol
Exact Mass351.92
IUPAC Namechloro bis(2-chlorophenyl) phosphate
SMILESO=P(OCl)(Oc1ccccc1Cl)Oc1ccccc1Cl
InChIInChI=1S/C12H8Cl3O4P/c13-9-5-1-3-7-11(9)17-20(16,19-15)18-12-8-4-2-6-10(12)14/h1-8H
InChIKeyLHMPTYXLQYHEKN-UHFFFAOYSA-N
XLogP5.73
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.52
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro bis(2-chlorophenyl) phosphate?
The IUPAC name of chloro bis(2-chlorophenyl) phosphate (CID 68561656) is chloro bis(2-chlorophenyl) phosphate.
What is the SMILES notation for chloro bis(2-chlorophenyl) phosphate?
The canonical SMILES for chloro bis(2-chlorophenyl) phosphate is O=P(OCl)(Oc1ccccc1Cl)Oc1ccccc1Cl.
What is the InChIKey of chloro bis(2-chlorophenyl) phosphate?
The InChIKey is LHMPTYXLQYHEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3O4P/c13-9-5-1-3-7-11(9)17-20(16,19-15)18-12-8-4-2-6-10(12)14/h1-8H.
What are the key properties of chloro bis(2-chlorophenyl) phosphate?
chloro bis(2-chlorophenyl) phosphate has a molecular weight of 353.52 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro bis(2-chlorophenyl) phosphate is sourced from PubChem (CID 68561656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).