benzoyloxy(phenyl)mercury

C13H10HgO2 — CID 16682929

IUPACbenzoyloxy(phenyl)mercury
SMILESO=C(O[Hg]c1ccccc1)c1ccccc1
InChIInChI=1S/C7H6O2.C6H5.Hg/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H,(H,8,9);1-5H;/q;;+1/p-1
InChIKeyZXFQZMVPEYERPI-UHFFFAOYSA-M
MW398.81 g/mol
LogP2.17
Rot. Bonds3

About benzoyloxy(phenyl)mercury

benzoyloxy(phenyl)mercury (PubChem CID 16682929) has the molecular formula C13H10HgO2 and a molecular weight of 398.81 g/mol. Its IUPAC name is benzoyloxy(phenyl)mercury.

Molecular Properties

Compound Namebenzoyloxy(phenyl)mercury
PubChem CID16682929
Molecular FormulaC13H10HgO2
Molecular Weight398.81 g/mol
Exact Mass400.04
IUPAC Namebenzoyloxy(phenyl)mercury
SMILESO=C(O[Hg]c1ccccc1)c1ccccc1
InChIInChI=1S/C7H6O2.C6H5.Hg/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H,(H,8,9);1-5H;/q;;+1/p-1
InChIKeyZXFQZMVPEYERPI-UHFFFAOYSA-M
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.81
LogP ≤ 52.17
H-Bond Donors ≤ 50
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 benzoyloxy(phenyl)mercury?
The IUPAC name of benzoyloxy(phenyl)mercury (CID 16682929) is benzoyloxy(phenyl)mercury.
What is the SMILES notation for benzoyloxy(phenyl)mercury?
The canonical SMILES for benzoyloxy(phenyl)mercury is O=C(O[Hg]c1ccccc1)c1ccccc1.
What is the InChIKey of benzoyloxy(phenyl)mercury?
The InChIKey is ZXFQZMVPEYERPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.C6H5.Hg/c8-7(9)6-4-2-1-3-5-6;1-2-4-6-5-3-1;/h1-5H,(H,8,9);1-5H;/q;;+1/p-1.
What are the key properties of benzoyloxy(phenyl)mercury?
benzoyloxy(phenyl)mercury has a molecular weight of 398.81 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyloxy(phenyl)mercury is sourced from PubChem (CID 16682929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).