dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane

C14H12Cl2O4P2Pd — CID 134832689

IUPACdichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane
SMILESCl[Pd]Cl.Pc1ccc2c(c1-c1c(P)ccc3c1OCO3)OCO2
InChIInChI=1S/C14H12O4P2.2ClH.Pd/c19-9-3-1-7-13(17-5-15-7)11(9)12-10(20)4-2-8-14(12)18-6-16-8;;;/h1-4H,5-6,19-20H2;2*1H;/q;;;+2/p-2
InChIKeyWBVHIORGKJTYQM-UHFFFAOYSA-L
MW483.52 g/mol
LogP3.19
Rot. Bonds1

About dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane

dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane (PubChem CID 134832689) has the molecular formula C14H12Cl2O4P2Pd and a molecular weight of 483.52 g/mol. Its IUPAC name is dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane.

Molecular Properties

Compound Namedichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane
PubChem CID134832689
Molecular FormulaC14H12Cl2O4P2Pd
Molecular Weight483.52 g/mol
Exact Mass481.86
IUPAC Namedichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane
SMILESCl[Pd]Cl.Pc1ccc2c(c1-c1c(P)ccc3c1OCO3)OCO2
InChIInChI=1S/C14H12O4P2.2ClH.Pd/c19-9-3-1-7-13(17-5-15-7)11(9)12-10(20)4-2-8-14(12)18-6-16-8;;;/h1-4H,5-6,19-20H2;2*1H;/q;;;+2/p-2
InChIKeyWBVHIORGKJTYQM-UHFFFAOYSA-L
XLogP3.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.52
LogP ≤ 53.19
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 dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane?
The IUPAC name of dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane (CID 134832689) is dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane.
What is the SMILES notation for dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane?
The canonical SMILES for dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane is Cl[Pd]Cl.Pc1ccc2c(c1-c1c(P)ccc3c1OCO3)OCO2.
What is the InChIKey of dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane?
The InChIKey is WBVHIORGKJTYQM-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12O4P2.2ClH.Pd/c19-9-3-1-7-13(17-5-15-7)11(9)12-10(20)4-2-8-14(12)18-6-16-8;;;/h1-4H,5-6,19-20H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane?
dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane has a molecular weight of 483.52 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichloropalladium;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane is sourced from PubChem (CID 134832689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).