acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury

C9H9ClFHgNO2 — CID 16683752

IUPACacetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury
SMILESCC(=O)O[Hg]c1c(N)c(Cl)cc(C)c1F
InChIInChI=1S/C7H6ClFN.C2H4O2.Hg/c1-4-2-5(8)7(10)3-6(4)9;1-2(3)4;/h2H,10H2,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyJUAUVFQGQMAYHD-UHFFFAOYSA-M
MW418.22 g/mol
LogP1.56
Rot. Bonds2

About acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury

acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury (PubChem CID 16683752) has the molecular formula C9H9ClFHgNO2 and a molecular weight of 418.22 g/mol. Its IUPAC name is acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury.

Molecular Properties

Compound Nameacetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury
PubChem CID16683752
Molecular FormulaC9H9ClFHgNO2
Molecular Weight418.22 g/mol
Exact Mass419.00
IUPAC Nameacetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury
SMILESCC(=O)O[Hg]c1c(N)c(Cl)cc(C)c1F
InChIInChI=1S/C7H6ClFN.C2H4O2.Hg/c1-4-2-5(8)7(10)3-6(4)9;1-2(3)4;/h2H,10H2,1H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyJUAUVFQGQMAYHD-UHFFFAOYSA-M
XLogP1.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.22
LogP ≤ 51.56
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-amino-3-chloro-6-fluoro-5-methylphenyl)mercury?
The IUPAC name of acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury (CID 16683752) is acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury.
What is the SMILES notation for acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury?
The canonical SMILES for acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury is CC(=O)O[Hg]c1c(N)c(Cl)cc(C)c1F.
What is the InChIKey of acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury?
The InChIKey is JUAUVFQGQMAYHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClFN.C2H4O2.Hg/c1-4-2-5(8)7(10)3-6(4)9;1-2(3)4;/h2H,10H2,1H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury?
acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury has a molecular weight of 418.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-(2-amino-3-chloro-6-fluoro-5-methylphenyl)mercury is sourced from PubChem (CID 16683752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).