bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)

C4H8Cl2O6P2Zr — CID 88773242

IUPACbis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)
SMILESO=P([O-])([O-])CCCl.O=P([O-])([O-])CCCl.[Zr+4]
InChIInChI=1S/2C2H6ClO3P.Zr/c2*3-1-2-7(4,5)6;/h2*1-2H2,(H2,4,5,6);/q;;+4/p-4
InChIKeyUFGCEMYULWISOU-UHFFFAOYSA-J
MW376.18 g/mol
LogP-1.72
Rot. Bonds4

About bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)

bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+) (PubChem CID 88773242) has the molecular formula C4H8Cl2O6P2Zr and a molecular weight of 376.18 g/mol. Its IUPAC name is bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+).

Molecular Properties

Compound Namebis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)
PubChem CID88773242
Molecular FormulaC4H8Cl2O6P2Zr
Molecular Weight376.18 g/mol
Exact Mass373.82
IUPAC Namebis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)
SMILESO=P([O-])([O-])CCCl.O=P([O-])([O-])CCCl.[Zr+4]
InChIInChI=1S/2C2H6ClO3P.Zr/c2*3-1-2-7(4,5)6;/h2*1-2H2,(H2,4,5,6);/q;;+4/p-4
InChIKeyUFGCEMYULWISOU-UHFFFAOYSA-J
XLogP-1.72
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.18
LogP ≤ 5-1.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane
CID 13424002
diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane
CID 168655255
dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)
CID 88696209
calcium phosphonatomethanol
CID 154632355
zirconium(4+) phosphate
CID 21124562
dimagnesium;dioxido-oxo-propyl-λ5-phosphane;dichloride
CID 153434042
hydroxylamine;tris(zirconium(4+));tetraphosphate
CID 174979397
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
tris(3-phosphonatopropanoic acid);bis(titanium(3+))
CID 155387935
tricalcium;zirconium(4+);phosphate
CID 172787637
chloro hypochlorite;tris(zirconium(4+));tetraphosphate
CID 163896602
hydroxy(2-hydroxyethyl)phosphinate
CID 25246079

Frequently Asked Questions

What is the IUPAC name of bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)?
The IUPAC name of bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+) (CID 88773242) is bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+).
What is the SMILES notation for bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)?
The canonical SMILES for bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+) is O=P([O-])([O-])CCCl.O=P([O-])([O-])CCCl.[Zr+4].
What is the InChIKey of bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)?
The InChIKey is UFGCEMYULWISOU-UHFFFAOYSA-J. The full InChI is InChI=1S/2C2H6ClO3P.Zr/c2*3-1-2-7(4,5)6;/h2*1-2H2,(H2,4,5,6);/q;;+4/p-4.
What are the key properties of bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)?
bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+) has a molecular weight of 376.18 g/mol, XLogP of -1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+) is sourced from PubChem (CID 88773242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).