bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury

C14Br8F2HgO4 — CID 135046339

IUPACbis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury
SMILESO=C(O[Hg]OC(=O)c1c(Br)c(Br)c(F)c(Br)c1Br)c1c(Br)c(Br)c(F)c(Br)c1Br
InChIInChI=1S/2C7HBr4FO2.Hg/c2*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;/h2*(H,13,14);/q;;+2/p-2
InChIKeyXVOCEZCZCMMFIB-UHFFFAOYSA-L
MW1109.97 g/mol
LogP8.99
Rot. Bonds4

About bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury

bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury (PubChem CID 135046339) has the molecular formula C14Br8F2HgO4 and a molecular weight of 1109.97 g/mol. Its IUPAC name is bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury.

Molecular Properties

Compound Namebis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury
PubChem CID135046339
Molecular FormulaC14Br8F2HgO4
Molecular Weight1109.97 g/mol
Exact Mass1103.29
IUPAC Namebis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury
SMILESO=C(O[Hg]OC(=O)c1c(Br)c(Br)c(F)c(Br)c1Br)c1c(Br)c(Br)c(F)c(Br)c1Br
InChIInChI=1S/2C7HBr4FO2.Hg/c2*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;/h2*(H,13,14);/q;;+2/p-2
InChIKeyXVOCEZCZCMMFIB-UHFFFAOYSA-L
XLogP8.99
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001109.97
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury?
The IUPAC name of bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury (CID 135046339) is bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury.
What is the SMILES notation for bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury?
The canonical SMILES for bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury is O=C(O[Hg]OC(=O)c1c(Br)c(Br)c(F)c(Br)c1Br)c1c(Br)c(Br)c(F)c(Br)c1Br.
What is the InChIKey of bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury?
The InChIKey is XVOCEZCZCMMFIB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7HBr4FO2.Hg/c2*8-2-1(7(13)14)3(9)5(11)6(12)4(2)10;/h2*(H,13,14);/q;;+2/p-2.
What are the key properties of bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury?
bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury has a molecular weight of 1109.97 g/mol, XLogP of 8.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2,3,5,6-tetrabromo-4-fluorobenzoyl)oxy]mercury is sourced from PubChem (CID 135046339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).