dimagnesium;(4-methylphenyl) phosphate;dichloride

C7H7Cl2Mg2O4P — CID 153434110

IUPACdimagnesium;(4-methylphenyl) phosphate;dichloride
SMILESCc1ccc(OP(=O)([O-])[O-])cc1.[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C7H9O4P.2ClH.2Mg/c1-6-2-4-7(5-3-6)11-12(8,9)10;;;;/h2-5H,1H3,(H2,8,9,10);2*1H;;/q;;;2*+2/p-4
InChIKeyJNJWKBLXYDJRSR-UHFFFAOYSA-J
MW305.62 g/mol
LogP-6.55
Rot. Bonds2

About dimagnesium;(4-methylphenyl) phosphate;dichloride

dimagnesium;(4-methylphenyl) phosphate;dichloride (PubChem CID 153434110) has the molecular formula C7H7Cl2Mg2O4P and a molecular weight of 305.62 g/mol. Its IUPAC name is dimagnesium;(4-methylphenyl) phosphate;dichloride.

Molecular Properties

Compound Namedimagnesium;(4-methylphenyl) phosphate;dichloride
PubChem CID153434110
Molecular FormulaC7H7Cl2Mg2O4P
Molecular Weight305.62 g/mol
Exact Mass303.92
IUPAC Namedimagnesium;(4-methylphenyl) phosphate;dichloride
SMILESCc1ccc(OP(=O)([O-])[O-])cc1.[Cl-].[Cl-].[Mg+2].[Mg+2]
InChIInChI=1S/C7H9O4P.2ClH.2Mg/c1-6-2-4-7(5-3-6)11-12(8,9)10;;;;/h2-5H,1H3,(H2,8,9,10);2*1H;;/q;;;2*+2/p-4
InChIKeyJNJWKBLXYDJRSR-UHFFFAOYSA-J
XLogP-6.55
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.62
LogP ≤ 5-6.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

magnesium;hydride;tris(4-methylphenyl) phosphate;hydrate
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potassium;tris(4-methylphenyl) phosphate;hydroxide
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Frequently Asked Questions

What is the IUPAC name of dimagnesium;(4-methylphenyl) phosphate;dichloride?
The IUPAC name of dimagnesium;(4-methylphenyl) phosphate;dichloride (CID 153434110) is dimagnesium;(4-methylphenyl) phosphate;dichloride.
What is the SMILES notation for dimagnesium;(4-methylphenyl) phosphate;dichloride?
The canonical SMILES for dimagnesium;(4-methylphenyl) phosphate;dichloride is Cc1ccc(OP(=O)([O-])[O-])cc1.[Cl-].[Cl-].[Mg+2].[Mg+2].
What is the InChIKey of dimagnesium;(4-methylphenyl) phosphate;dichloride?
The InChIKey is JNJWKBLXYDJRSR-UHFFFAOYSA-J. The full InChI is InChI=1S/C7H9O4P.2ClH.2Mg/c1-6-2-4-7(5-3-6)11-12(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) phosphate;dichloride?
dimagnesium;(4-methylphenyl) phosphate;dichloride has a molecular weight of 305.62 g/mol, XLogP of -6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimagnesium;(4-methylphenyl) phosphate;dichloride is sourced from PubChem (CID 153434110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).