bis(2,3-dichloropropyl) phosphate

C6H10Cl4O4P- — CID 19829552

IUPACbis(2,3-dichloropropyl) phosphate
SMILESO=P([O-])(OCC(Cl)CCl)OCC(Cl)CCl
InChIInChI=1S/C6H11Cl4O4P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-6H,1-4H2,(H,11,12)/p-1
InChIKeyQONUJRHZWGPJPC-UHFFFAOYSA-M
MW318.93 g/mol
LogP2.18
Rot. Bonds8

About bis(2,3-dichloropropyl) phosphate

bis(2,3-dichloropropyl) phosphate (PubChem CID 19829552) has the molecular formula C6H10Cl4O4P- and a molecular weight of 318.93 g/mol. Its IUPAC name is bis(2,3-dichloropropyl) phosphate.

Molecular Properties

Compound Namebis(2,3-dichloropropyl) phosphate
PubChem CID19829552
Molecular FormulaC6H10Cl4O4P-
Molecular Weight318.93 g/mol
Exact Mass316.91
IUPAC Namebis(2,3-dichloropropyl) phosphate
SMILESO=P([O-])(OCC(Cl)CCl)OCC(Cl)CCl
InChIInChI=1S/C6H11Cl4O4P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-6H,1-4H2,(H,11,12)/p-1
InChIKeyQONUJRHZWGPJPC-UHFFFAOYSA-M
XLogP2.18
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.93
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(2,3-dichloropropyl) phosphate?
The IUPAC name of bis(2,3-dichloropropyl) phosphate (CID 19829552) is bis(2,3-dichloropropyl) phosphate.
What is the SMILES notation for bis(2,3-dichloropropyl) phosphate?
The canonical SMILES for bis(2,3-dichloropropyl) phosphate is O=P([O-])(OCC(Cl)CCl)OCC(Cl)CCl.
What is the InChIKey of bis(2,3-dichloropropyl) phosphate?
The InChIKey is QONUJRHZWGPJPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11Cl4O4P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-6H,1-4H2,(H,11,12)/p-1.
What are the key properties of bis(2,3-dichloropropyl) phosphate?
bis(2,3-dichloropropyl) phosphate has a molecular weight of 318.93 g/mol, XLogP of 2.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3-dichloropropyl) phosphate is sourced from PubChem (CID 19829552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).