magnesium;phthalic acid;dichloride

C8H6Cl2MgO4 — CID 22501626

IUPACmagnesium;phthalic acid;dichloride
SMILESO=C(O)c1ccccc1C(=O)O.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C8H6O4.2ClH.Mg/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);2*1H;/q;;;+2/p-2
InChIKeyIMYBPLCXRFQHIT-UHFFFAOYSA-L
MW261.34 g/mol
LogP-5.29
Rot. Bonds2

About magnesium;phthalic acid;dichloride

magnesium;phthalic acid;dichloride (PubChem CID 22501626) has the molecular formula C8H6Cl2MgO4 and a molecular weight of 261.34 g/mol. Its IUPAC name is magnesium;phthalic acid;dichloride.

Molecular Properties

Compound Namemagnesium;phthalic acid;dichloride
PubChem CID22501626
Molecular FormulaC8H6Cl2MgO4
Molecular Weight261.34 g/mol
Exact Mass259.95
IUPAC Namemagnesium;phthalic acid;dichloride
SMILESO=C(O)c1ccccc1C(=O)O.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C8H6O4.2ClH.Mg/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);2*1H;/q;;;+2/p-2
InChIKeyIMYBPLCXRFQHIT-UHFFFAOYSA-L
XLogP-5.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 5-5.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of magnesium;phthalic acid;dichloride?
The IUPAC name of magnesium;phthalic acid;dichloride (CID 22501626) is magnesium;phthalic acid;dichloride.
What is the SMILES notation for magnesium;phthalic acid;dichloride?
The canonical SMILES for magnesium;phthalic acid;dichloride is O=C(O)c1ccccc1C(=O)O.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;phthalic acid;dichloride?
The InChIKey is IMYBPLCXRFQHIT-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.2ClH.Mg/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;phthalic acid;dichloride?
magnesium;phthalic acid;dichloride has a molecular weight of 261.34 g/mol, XLogP of -5.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;phthalic acid;dichloride is sourced from PubChem (CID 22501626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).