bis(5-chloro-2-hydroxyphenyl)mercury

C12H8Cl2HgO2 — CID 3029282

IUPACbis(5-chloro-2-hydroxyphenyl)mercury
SMILESOc1ccc(Cl)cc1[Hg]c1cc(Cl)ccc1O
InChIInChI=1S/2C6H4ClO.Hg/c2*7-5-1-3-6(8)4-2-5;/h2*1-3,8H;
InChIKeyJMOCRFPOGVCEJZ-UHFFFAOYSA-N
MW455.69 g/mol
LogP2.44
Rot. Bonds2

About bis(5-chloro-2-hydroxyphenyl)mercury

bis(5-chloro-2-hydroxyphenyl)mercury (PubChem CID 3029282) has the molecular formula C12H8Cl2HgO2 and a molecular weight of 455.69 g/mol. Its IUPAC name is bis(5-chloro-2-hydroxyphenyl)mercury.

Molecular Properties

Compound Namebis(5-chloro-2-hydroxyphenyl)mercury
PubChem CID3029282
Molecular FormulaC12H8Cl2HgO2
Molecular Weight455.69 g/mol
Exact Mass455.96
IUPAC Namebis(5-chloro-2-hydroxyphenyl)mercury
SMILESOc1ccc(Cl)cc1[Hg]c1cc(Cl)ccc1O
InChIInChI=1S/2C6H4ClO.Hg/c2*7-5-1-3-6(8)4-2-5;/h2*1-3,8H;
InChIKeyJMOCRFPOGVCEJZ-UHFFFAOYSA-N
XLogP2.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.69
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 bis(5-chloro-2-hydroxyphenyl)mercury?
The IUPAC name of bis(5-chloro-2-hydroxyphenyl)mercury (CID 3029282) is bis(5-chloro-2-hydroxyphenyl)mercury.
What is the SMILES notation for bis(5-chloro-2-hydroxyphenyl)mercury?
The canonical SMILES for bis(5-chloro-2-hydroxyphenyl)mercury is Oc1ccc(Cl)cc1[Hg]c1cc(Cl)ccc1O.
What is the InChIKey of bis(5-chloro-2-hydroxyphenyl)mercury?
The InChIKey is JMOCRFPOGVCEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4ClO.Hg/c2*7-5-1-3-6(8)4-2-5;/h2*1-3,8H;.
What are the key properties of bis(5-chloro-2-hydroxyphenyl)mercury?
bis(5-chloro-2-hydroxyphenyl)mercury has a molecular weight of 455.69 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-chloro-2-hydroxyphenyl)mercury is sourced from PubChem (CID 3029282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).