dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride

C7H7Cl2Mg2O3P — CID 153434059

IUPACdimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride
SMILESCc1ccc(P(=O)([O-])[O-])cc1.[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C7H9O3P.2ClH.2Mg/c1-6-2-4-7(5-3-6)11(8,9)10;;;;/h2-5H,1H3,(H2,8,9,10);2*1H;;/q;;;2*+2/p-4
InChIKeyJRGQYEMDEMZIHZ-UHFFFAOYSA-J
MW289.62 g/mol
LogP-7.22
Rot. Bonds1

About dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride

dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride (PubChem CID 153434059) has the molecular formula C7H7Cl2Mg2O3P and a molecular weight of 289.62 g/mol. Its IUPAC name is dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride.

Molecular Properties

Compound Namedimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride
PubChem CID153434059
Molecular FormulaC7H7Cl2Mg2O3P
Molecular Weight289.62 g/mol
Exact Mass287.92
IUPAC Namedimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride
SMILESCc1ccc(P(=O)([O-])[O-])cc1.[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C7H9O3P.2ClH.2Mg/c1-6-2-4-7(5-3-6)11(8,9)10;;;;/h2-5H,1H3,(H2,8,9,10);2*1H;;/q;;;2*+2/p-4
InChIKeyJRGQYEMDEMZIHZ-UHFFFAOYSA-J
XLogP-7.22
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.62
LogP ≤ 5-7.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride?
The IUPAC name of dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride (CID 153434059) is dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride.
What is the SMILES notation for dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride?
The canonical SMILES for dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride is Cc1ccc(P(=O)([O-])[O-])cc1.[Cl-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride?
The InChIKey is JRGQYEMDEMZIHZ-UHFFFAOYSA-J. The full InChI is InChI=1S/C7H9O3P.2ClH.2Mg/c1-6-2-4-7(5-3-6)11(8,9)10;;;;/h2-5H,1H3,(H2,8,9,10);2*1H;;/q;;;2*+2/p-4.
What are the key properties of dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride?
dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride has a molecular weight of 289.62 g/mol, XLogP of -7.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;(4-methylphenyl)-dioxido-oxo-λ5-phosphane;dichloride is sourced from PubChem (CID 153434059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).