bis(3-bromo-4-hydroxyphenyl)mercury

C12H8Br2HgO2 — CID 3029280

IUPACbis(3-bromo-4-hydroxyphenyl)mercury
SMILESOc1ccc([Hg]c2ccc(O)c(Br)c2)cc1Br
InChIInChI=1S/2C6H4BrO.Hg/c2*7-5-3-1-2-4-6(5)8;/h2*2-4,8H;
InChIKeyHTDLKQYDBGNFCT-UHFFFAOYSA-N
MW544.59 g/mol
LogP2.66
Rot. Bonds2

About bis(3-bromo-4-hydroxyphenyl)mercury

bis(3-bromo-4-hydroxyphenyl)mercury (PubChem CID 3029280) has the molecular formula C12H8Br2HgO2 and a molecular weight of 544.59 g/mol. Its IUPAC name is bis(3-bromo-4-hydroxyphenyl)mercury.

Molecular Properties

Compound Namebis(3-bromo-4-hydroxyphenyl)mercury
PubChem CID3029280
Molecular FormulaC12H8Br2HgO2
Molecular Weight544.59 g/mol
Exact Mass543.86
IUPAC Namebis(3-bromo-4-hydroxyphenyl)mercury
SMILESOc1ccc([Hg]c2ccc(O)c(Br)c2)cc1Br
InChIInChI=1S/2C6H4BrO.Hg/c2*7-5-3-1-2-4-6(5)8;/h2*2-4,8H;
InChIKeyHTDLKQYDBGNFCT-UHFFFAOYSA-N
XLogP2.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.59
LogP ≤ 52.66
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(3-bromo-4-hydroxyphenyl)mercury?
The IUPAC name of bis(3-bromo-4-hydroxyphenyl)mercury (CID 3029280) is bis(3-bromo-4-hydroxyphenyl)mercury.
What is the SMILES notation for bis(3-bromo-4-hydroxyphenyl)mercury?
The canonical SMILES for bis(3-bromo-4-hydroxyphenyl)mercury is Oc1ccc([Hg]c2ccc(O)c(Br)c2)cc1Br.
What is the InChIKey of bis(3-bromo-4-hydroxyphenyl)mercury?
The InChIKey is HTDLKQYDBGNFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4BrO.Hg/c2*7-5-3-1-2-4-6(5)8;/h2*2-4,8H;.
What are the key properties of bis(3-bromo-4-hydroxyphenyl)mercury?
bis(3-bromo-4-hydroxyphenyl)mercury has a molecular weight of 544.59 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-bromo-4-hydroxyphenyl)mercury is sourced from PubChem (CID 3029280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).