acetyloxy-(2-aminophenyl)mercury

C8H9HgNO2 — CID 16683704

IUPACacetyloxy-(2-aminophenyl)mercury
SMILESCC(=O)O[Hg]c1ccccc1N
InChIInChI=1S/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h1-4H,7H2;1H3,(H,3,4);/q;;+1/p-1
InChIKeyGUEHESDOJBMSSE-UHFFFAOYSA-M
MW351.76 g/mol
LogP0.45
Rot. Bonds2

About acetyloxy-(2-aminophenyl)mercury

acetyloxy-(2-aminophenyl)mercury (PubChem CID 16683704) has the molecular formula C8H9HgNO2 and a molecular weight of 351.76 g/mol. Its IUPAC name is acetyloxy-(2-aminophenyl)mercury.

Molecular Properties

Compound Nameacetyloxy-(2-aminophenyl)mercury
PubChem CID16683704
Molecular FormulaC8H9HgNO2
Molecular Weight351.76 g/mol
Exact Mass353.03
IUPAC Nameacetyloxy-(2-aminophenyl)mercury
SMILESCC(=O)O[Hg]c1ccccc1N
InChIInChI=1S/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h1-4H,7H2;1H3,(H,3,4);/q;;+1/p-1
InChIKeyGUEHESDOJBMSSE-UHFFFAOYSA-M
XLogP0.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetyloxy-(2-aminophenyl)mercury?
The IUPAC name of acetyloxy-(2-aminophenyl)mercury (CID 16683704) is acetyloxy-(2-aminophenyl)mercury.
What is the SMILES notation for acetyloxy-(2-aminophenyl)mercury?
The canonical SMILES for acetyloxy-(2-aminophenyl)mercury is CC(=O)O[Hg]c1ccccc1N.
What is the InChIKey of acetyloxy-(2-aminophenyl)mercury?
The InChIKey is GUEHESDOJBMSSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N.C2H4O2.Hg/c7-6-4-2-1-3-5-6;1-2(3)4;/h1-4H,7H2;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy-(2-aminophenyl)mercury?
acetyloxy-(2-aminophenyl)mercury has a molecular weight of 351.76 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-(2-aminophenyl)mercury is sourced from PubChem (CID 16683704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).