methylmercury(1+);phenylmercury(1+);acetate;chloride

C9H11ClHg2O2 — CID 67854613

IUPACmethylmercury(1+);phenylmercury(1+);acetate;chloride
SMILESCC(=O)[O-].C[Hg+].[Cl-].[Hg+]c1ccccc1
InChIInChI=1S/C6H5.C2H4O2.CH3.ClH.2Hg/c1-2-4-6-5-3-1;1-2(3)4;;;;/h1-5H;1H3,(H,3,4);1H3;1H;;/q;;;;2*+1/p-2
InChIKeyVGWKPBKXZVOKRF-UHFFFAOYSA-L
MW587.82 g/mol
LogP-2.80
Rot. Bonds

About methylmercury(1+);phenylmercury(1+);acetate;chloride

methylmercury(1+);phenylmercury(1+);acetate;chloride (PubChem CID 67854613) has the molecular formula C9H11ClHg2O2 and a molecular weight of 587.82 g/mol. Its IUPAC name is methylmercury(1+);phenylmercury(1+);acetate;chloride.

Molecular Properties

Compound Namemethylmercury(1+);phenylmercury(1+);acetate;chloride
PubChem CID67854613
Molecular FormulaC9H11ClHg2O2
Molecular Weight587.82 g/mol
Exact Mass589.99
IUPAC Namemethylmercury(1+);phenylmercury(1+);acetate;chloride
SMILESCC(=O)[O-].C[Hg+].[Cl-].[Hg+]c1ccccc1
InChIInChI=1S/C6H5.C2H4O2.CH3.ClH.2Hg/c1-2-4-6-5-3-1;1-2(3)4;;;;/h1-5H;1H3,(H,3,4);1H3;1H;;/q;;;;2*+1/p-2
InChIKeyVGWKPBKXZVOKRF-UHFFFAOYSA-L
XLogP-2.80
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.82
LogP ≤ 5-2.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;phenylmercury(1+);acetate
CID 90478884
2-hydroxypropanoate;phenylmercury(1+)
CID 67544272
1,1'-biphenyl;palladium(2+);diacetate
CID 173036521
decanoate;phenylmercury(1+)
CID 70457724
silver;benzene;acetate
CID 174986985
palladium(2+);triphenylphosphane;diacetate
CID 11554889
copper(1+);tris(triphenylphosphane);acetate
CID 56954258
gold(3+);triphenylphosphane;triacetate
CID 160881940
copper(1+);bis(triphenylphosphane);acetate
CID 175797724
sodium;2-hydroxybenzoic acid;acetate
CID 174935764
benzyltin(3+) triacetate
CID 161126164
nitric acid;bis(phenylmercury(1+));hydrate
CID 170920407

Frequently Asked Questions

What is the IUPAC name of methylmercury(1+);phenylmercury(1+);acetate;chloride?
The IUPAC name of methylmercury(1+);phenylmercury(1+);acetate;chloride (CID 67854613) is methylmercury(1+);phenylmercury(1+);acetate;chloride.
What is the SMILES notation for methylmercury(1+);phenylmercury(1+);acetate;chloride?
The canonical SMILES for methylmercury(1+);phenylmercury(1+);acetate;chloride is CC(=O)[O-].C[Hg+].[Cl-].[Hg+]c1ccccc1.
What is the InChIKey of methylmercury(1+);phenylmercury(1+);acetate;chloride?
The InChIKey is VGWKPBKXZVOKRF-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H5.C2H4O2.CH3.ClH.2Hg/c1-2-4-6-5-3-1;1-2(3)4;;;;/h1-5H;1H3,(H,3,4);1H3;1H;;/q;;;;2*+1/p-2.
What are the key properties of methylmercury(1+);phenylmercury(1+);acetate;chloride?
methylmercury(1+);phenylmercury(1+);acetate;chloride has a molecular weight of 587.82 g/mol, XLogP of -2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylmercury(1+);phenylmercury(1+);acetate;chloride is sourced from PubChem (CID 67854613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).