magnesium;2-chloropropane;dichloride

C3H7Cl3Mg — CID 158508799

IUPACmagnesium;2-chloropropane;dichloride
SMILESCC(C)Cl.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C3H7Cl.2ClH.Mg/c1-3(2)4;;;/h3H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyHKUFSVWZBPBDOH-UHFFFAOYSA-L
MW173.75 g/mol
LogP-4.74
Rot. Bonds

About magnesium;2-chloropropane;dichloride

magnesium;2-chloropropane;dichloride (PubChem CID 158508799) has the molecular formula C3H7Cl3Mg and a molecular weight of 173.75 g/mol. Its IUPAC name is magnesium;2-chloropropane;dichloride.

Molecular Properties

Compound Namemagnesium;2-chloropropane;dichloride
PubChem CID158508799
Molecular FormulaC3H7Cl3Mg
Molecular Weight173.75 g/mol
Exact Mass171.95
IUPAC Namemagnesium;2-chloropropane;dichloride
SMILESCC(C)Cl.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C3H7Cl.2ClH.Mg/c1-3(2)4;;;/h3H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyHKUFSVWZBPBDOH-UHFFFAOYSA-L
XLogP-4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.75
LogP ≤ 5-4.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-chloropropane;dichloride?
The IUPAC name of magnesium;2-chloropropane;dichloride (CID 158508799) is magnesium;2-chloropropane;dichloride.
What is the SMILES notation for magnesium;2-chloropropane;dichloride?
The canonical SMILES for magnesium;2-chloropropane;dichloride is CC(C)Cl.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-chloropropane;dichloride?
The InChIKey is HKUFSVWZBPBDOH-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7Cl.2ClH.Mg/c1-3(2)4;;;/h3H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;2-chloropropane;dichloride?
magnesium;2-chloropropane;dichloride has a molecular weight of 173.75 g/mol, XLogP of -4.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-chloropropane;dichloride is sourced from PubChem (CID 158508799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).