chloromercury;dichloromercury;oxomercury

Cl3Hg3O — CID 158657455

IUPACchloromercury;dichloromercury;oxomercury
SMILESCl[Hg].Cl[Hg]Cl.O=[Hg]
InChIInChI=1S/3ClH.3Hg.O/h3*1H;;;;/q;;;;+1;+2;/p-3
InChIKeyPPTMLZSPPWGJFB-UHFFFAOYSA-K
MW724.13 g/mol
LogP1.94
Rot. Bonds

About chloromercury;dichloromercury;oxomercury

chloromercury;dichloromercury;oxomercury (PubChem CID 158657455) has the molecular formula Cl3Hg3O and a molecular weight of 724.13 g/mol. Its IUPAC name is chloromercury;dichloromercury;oxomercury.

Molecular Properties

Compound Namechloromercury;dichloromercury;oxomercury
PubChem CID158657455
Molecular FormulaCl3Hg3O
Molecular Weight724.13 g/mol
Exact Mass726.81
IUPAC Namechloromercury;dichloromercury;oxomercury
SMILESCl[Hg].Cl[Hg]Cl.O=[Hg]
InChIInChI=1S/3ClH.3Hg.O/h3*1H;;;;/q;;;;+1;+2;/p-3
InChIKeyPPTMLZSPPWGJFB-UHFFFAOYSA-K
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500724.13
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 chloromercury;dichloromercury;oxomercury?
The IUPAC name of chloromercury;dichloromercury;oxomercury (CID 158657455) is chloromercury;dichloromercury;oxomercury.
What is the SMILES notation for chloromercury;dichloromercury;oxomercury?
The canonical SMILES for chloromercury;dichloromercury;oxomercury is Cl[Hg].Cl[Hg]Cl.O=[Hg].
What is the InChIKey of chloromercury;dichloromercury;oxomercury?
The InChIKey is PPTMLZSPPWGJFB-UHFFFAOYSA-K. The full InChI is InChI=1S/3ClH.3Hg.O/h3*1H;;;;/q;;;;+1;+2;/p-3.
What are the key properties of chloromercury;dichloromercury;oxomercury?
chloromercury;dichloromercury;oxomercury has a molecular weight of 724.13 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloromercury;dichloromercury;oxomercury is sourced from PubChem (CID 158657455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).