mercury(2+);diperchlorate;hexahydrate

H12Cl2HgO14 — CID 121233631

IUPACmercury(2+);diperchlorate;hexahydrate
SMILESO.O.O.O.O.O.[Hg+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2ClHO4.Hg.6H2O/c2*2-1(3,4)5;;;;;;;/h2*(H,2,3,4,5);;6*1H2/q;;+2;;;;;;/p-2
InChIKeyTZBKEOJIPQHQQO-UHFFFAOYSA-L
MW507.58 g/mol
LogP-14.46
Rot. Bonds

About mercury(2+);diperchlorate;hexahydrate

mercury(2+);diperchlorate;hexahydrate (PubChem CID 121233631) has the molecular formula H12Cl2HgO14 and a molecular weight of 507.58 g/mol. Its IUPAC name is mercury(2+);diperchlorate;hexahydrate.

Molecular Properties

Compound Namemercury(2+);diperchlorate;hexahydrate
PubChem CID121233631
Molecular FormulaH12Cl2HgO14
Molecular Weight507.58 g/mol
Exact Mass507.93
IUPAC Namemercury(2+);diperchlorate;hexahydrate
SMILESO.O.O.O.O.O.[Hg+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/2ClHO4.Hg.6H2O/c2*2-1(3,4)5;;;;;;;/h2*(H,2,3,4,5);;6*1H2/q;;+2;;;;;;/p-2
InChIKeyTZBKEOJIPQHQQO-UHFFFAOYSA-L
XLogP-14.46
TPSA373.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.58
LogP ≤ 5-14.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 mercury(2+);diperchlorate;hexahydrate?
The IUPAC name of mercury(2+);diperchlorate;hexahydrate (CID 121233631) is mercury(2+);diperchlorate;hexahydrate.
What is the SMILES notation for mercury(2+);diperchlorate;hexahydrate?
The canonical SMILES for mercury(2+);diperchlorate;hexahydrate is O.O.O.O.O.O.[Hg+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of mercury(2+);diperchlorate;hexahydrate?
The InChIKey is TZBKEOJIPQHQQO-UHFFFAOYSA-L. The full InChI is InChI=1S/2ClHO4.Hg.6H2O/c2*2-1(3,4)5;;;;;;;/h2*(H,2,3,4,5);;6*1H2/q;;+2;;;;;;/p-2.
What are the key properties of mercury(2+);diperchlorate;hexahydrate?
mercury(2+);diperchlorate;hexahydrate has a molecular weight of 507.58 g/mol, XLogP of -14.46, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for mercury(2+);diperchlorate;hexahydrate is sourced from PubChem (CID 121233631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).