magnesium;dichloro(phenyl)borane;dichloride

C6H5BCl4Mg — CID 141159879

IUPACmagnesium;dichloro(phenyl)borane;dichloride
SMILESClB(Cl)c1ccccc1.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H5BCl2.2ClH.Mg/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H;2*1H;/q;;;+2/p-2
InChIKeyXUOROQSEMZJLFU-UHFFFAOYSA-L
MW254.04 g/mol
LogP-4.51
Rot. Bonds1

About magnesium;dichloro(phenyl)borane;dichloride

magnesium;dichloro(phenyl)borane;dichloride (PubChem CID 141159879) has the molecular formula C6H5BCl4Mg and a molecular weight of 254.04 g/mol. Its IUPAC name is magnesium;dichloro(phenyl)borane;dichloride.

Molecular Properties

Compound Namemagnesium;dichloro(phenyl)borane;dichloride
PubChem CID141159879
Molecular FormulaC6H5BCl4Mg
Molecular Weight254.04 g/mol
Exact Mass251.91
IUPAC Namemagnesium;dichloro(phenyl)borane;dichloride
SMILESClB(Cl)c1ccccc1.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H5BCl2.2ClH.Mg/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H;2*1H;/q;;;+2/p-2
InChIKeyXUOROQSEMZJLFU-UHFFFAOYSA-L
XLogP-4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.04
LogP ≤ 5-4.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;dichloro(phenyl)borane;dichloride?
The IUPAC name of magnesium;dichloro(phenyl)borane;dichloride (CID 141159879) is magnesium;dichloro(phenyl)borane;dichloride.
What is the SMILES notation for magnesium;dichloro(phenyl)borane;dichloride?
The canonical SMILES for magnesium;dichloro(phenyl)borane;dichloride is ClB(Cl)c1ccccc1.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;dichloro(phenyl)borane;dichloride?
The InChIKey is XUOROQSEMZJLFU-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H5BCl2.2ClH.Mg/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;dichloro(phenyl)borane;dichloride?
magnesium;dichloro(phenyl)borane;dichloride has a molecular weight of 254.04 g/mol, XLogP of -4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;dichloro(phenyl)borane;dichloride is sourced from PubChem (CID 141159879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).