tetrakis(2-bromophenolate);hafnium(4+)

C24H16Br4HfO4 — CID 102051879

IUPACtetrakis(2-bromophenolate);hafnium(4+)
SMILES[Hf+4].[O-]c1ccccc1Br.[O-]c1ccccc1Br.[O-]c1ccccc1Br.[O-]c1ccccc1Br
InChIInChI=1S/4C6H5BrO.Hf/c4*7-5-3-1-2-4-6(5)8;/h4*1-4,8H;/q;;;;+4/p-4
InChIKeyJHDSIHOPEIVWCX-UHFFFAOYSA-J
MW866.49 g/mol
LogP6.09
Rot. Bonds

About tetrakis(2-bromophenolate);hafnium(4+)

tetrakis(2-bromophenolate);hafnium(4+) (PubChem CID 102051879) has the molecular formula C24H16Br4HfO4 and a molecular weight of 866.49 g/mol. Its IUPAC name is tetrakis(2-bromophenolate);hafnium(4+).

Molecular Properties

Compound Nametetrakis(2-bromophenolate);hafnium(4+)
PubChem CID102051879
Molecular FormulaC24H16Br4HfO4
Molecular Weight866.49 g/mol
Exact Mass863.72
IUPAC Nametetrakis(2-bromophenolate);hafnium(4+)
SMILES[Hf+4].[O-]c1ccccc1Br.[O-]c1ccccc1Br.[O-]c1ccccc1Br.[O-]c1ccccc1Br
InChIInChI=1S/4C6H5BrO.Hf/c4*7-5-3-1-2-4-6(5)8;/h4*1-4,8H;/q;;;;+4/p-4
InChIKeyJHDSIHOPEIVWCX-UHFFFAOYSA-J
XLogP6.09
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.49
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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dilithium;benzene-1,2-diolate
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potassium;tris(benzene-1,2-diolate);titanium(4+)
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tris(2-bromophenyl)-fluorosilane
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CID 132502813
2-bromo-4-phenylphenolate
CID 155760391
sodium 3-bromopyridin-2-olate
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2-bromobenzaldehyde;bromobenzene
CID 174648828
3-bromo-2-[2-[2-(3-bromo-2-pyridinyl)phenyl]phenyl]pyridine
CID 102358252
zinc;benzene-1,2-diol;benzene-1,2-diolate
CID 157183877

Frequently Asked Questions

What is the IUPAC name of tetrakis(2-bromophenolate);hafnium(4+)?
The IUPAC name of tetrakis(2-bromophenolate);hafnium(4+) (CID 102051879) is tetrakis(2-bromophenolate);hafnium(4+).
What is the SMILES notation for tetrakis(2-bromophenolate);hafnium(4+)?
The canonical SMILES for tetrakis(2-bromophenolate);hafnium(4+) is [Hf+4].[O-]c1ccccc1Br.[O-]c1ccccc1Br.[O-]c1ccccc1Br.[O-]c1ccccc1Br.
What is the InChIKey of tetrakis(2-bromophenolate);hafnium(4+)?
The InChIKey is JHDSIHOPEIVWCX-UHFFFAOYSA-J. The full InChI is InChI=1S/4C6H5BrO.Hf/c4*7-5-3-1-2-4-6(5)8;/h4*1-4,8H;/q;;;;+4/p-4.
What are the key properties of tetrakis(2-bromophenolate);hafnium(4+)?
tetrakis(2-bromophenolate);hafnium(4+) has a molecular weight of 866.49 g/mol, XLogP of 6.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(2-bromophenolate);hafnium(4+) is sourced from PubChem (CID 102051879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).