copper bis(2,4,6-tribromophenolate)

C12H4Br6CuO2 — CID 20521832

IUPACcopper bis(2,4,6-tribromophenolate)
SMILES[Cu+2].[O-]c1c(Br)cc(Br)cc1Br.[O-]c1c(Br)cc(Br)cc1Br
InChIInChI=1S/2C6H3Br3O.Cu/c2*7-3-1-4(8)6(10)5(9)2-3;/h2*1-2,10H;/q;;+2/p-2
InChIKeyUVIRHVLVCNUHHS-UHFFFAOYSA-L
MW723.13 g/mol
LogP6.09
Rot. Bonds

About copper bis(2,4,6-tribromophenolate)

copper bis(2,4,6-tribromophenolate) (PubChem CID 20521832) has the molecular formula C12H4Br6CuO2 and a molecular weight of 723.13 g/mol. Its IUPAC name is copper bis(2,4,6-tribromophenolate).

Molecular Properties

Compound Namecopper bis(2,4,6-tribromophenolate)
PubChem CID20521832
Molecular FormulaC12H4Br6CuO2
Molecular Weight723.13 g/mol
Exact Mass716.46
IUPAC Namecopper bis(2,4,6-tribromophenolate)
SMILES[Cu+2].[O-]c1c(Br)cc(Br)cc1Br.[O-]c1c(Br)cc(Br)cc1Br
InChIInChI=1S/2C6H3Br3O.Cu/c2*7-3-1-4(8)6(10)5(9)2-3;/h2*1-2,10H;/q;;+2/p-2
InChIKeyUVIRHVLVCNUHHS-UHFFFAOYSA-L
XLogP6.09
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.13
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of copper bis(2,4,6-tribromophenolate)?
The IUPAC name of copper bis(2,4,6-tribromophenolate) (CID 20521832) is copper bis(2,4,6-tribromophenolate).
What is the SMILES notation for copper bis(2,4,6-tribromophenolate)?
The canonical SMILES for copper bis(2,4,6-tribromophenolate) is [Cu+2].[O-]c1c(Br)cc(Br)cc1Br.[O-]c1c(Br)cc(Br)cc1Br.
What is the InChIKey of copper bis(2,4,6-tribromophenolate)?
The InChIKey is UVIRHVLVCNUHHS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H3Br3O.Cu/c2*7-3-1-4(8)6(10)5(9)2-3;/h2*1-2,10H;/q;;+2/p-2.
What are the key properties of copper bis(2,4,6-tribromophenolate)?
copper bis(2,4,6-tribromophenolate) has a molecular weight of 723.13 g/mol, XLogP of 6.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2,4,6-tribromophenolate) is sourced from PubChem (CID 20521832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).