boronooxy(phenyl)mercury

C6H7BHgO3 — CID 16683761

IUPACboronooxy(phenyl)mercury
SMILESOB(O)O[Hg]c1ccccc1
InChIInChI=1S/C6H5.BH2O3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;2-3H;/q;-1;+1
InChIKeyVUXSPDNLYQTOSY-UHFFFAOYSA-N
MW338.52 g/mol
LogP-0.70
Rot. Bonds3

About boronooxy(phenyl)mercury

boronooxy(phenyl)mercury (PubChem CID 16683761) has the molecular formula C6H7BHgO3 and a molecular weight of 338.52 g/mol. Its IUPAC name is boronooxy(phenyl)mercury.

Molecular Properties

Compound Nameboronooxy(phenyl)mercury
PubChem CID16683761
Molecular FormulaC6H7BHgO3
Molecular Weight338.52 g/mol
Exact Mass340.02
IUPAC Nameboronooxy(phenyl)mercury
SMILESOB(O)O[Hg]c1ccccc1
InChIInChI=1S/C6H5.BH2O3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;2-3H;/q;-1;+1
InChIKeyVUXSPDNLYQTOSY-UHFFFAOYSA-N
XLogP-0.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 boronooxy(phenyl)mercury?
The IUPAC name of boronooxy(phenyl)mercury (CID 16683761) is boronooxy(phenyl)mercury.
What is the SMILES notation for boronooxy(phenyl)mercury?
The canonical SMILES for boronooxy(phenyl)mercury is OB(O)O[Hg]c1ccccc1.
What is the InChIKey of boronooxy(phenyl)mercury?
The InChIKey is VUXSPDNLYQTOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.BH2O3.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;2-3H;/q;-1;+1.
What are the key properties of boronooxy(phenyl)mercury?
boronooxy(phenyl)mercury has a molecular weight of 338.52 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for boronooxy(phenyl)mercury is sourced from PubChem (CID 16683761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).