bis(2,6-dichlorophenolate);titanium(4+);dichloride

C12H6Cl6O2Ti — CID 100950871

IUPACbis(2,6-dichlorophenolate);titanium(4+);dichloride
SMILES[Cl-].[Cl-].[O-]c1c(Cl)cccc1Cl.[O-]c1c(Cl)cccc1Cl.[Ti+4]
InChIInChI=1S/2C6H4Cl2O.2ClH.Ti/c2*7-4-2-1-3-5(8)6(4)9;;;/h2*1-3,9H;2*1H;/q;;;;+4/p-4
InChIKeyCAHLEFHEKLUSNC-UHFFFAOYSA-J
MW442.76 g/mol
LogP-1.86
Rot. Bonds

About bis(2,6-dichlorophenolate);titanium(4+);dichloride

bis(2,6-dichlorophenolate);titanium(4+);dichloride (PubChem CID 100950871) has the molecular formula C12H6Cl6O2Ti and a molecular weight of 442.76 g/mol. Its IUPAC name is bis(2,6-dichlorophenolate);titanium(4+);dichloride.

Molecular Properties

Compound Namebis(2,6-dichlorophenolate);titanium(4+);dichloride
PubChem CID100950871
Molecular FormulaC12H6Cl6O2Ti
Molecular Weight442.76 g/mol
Exact Mass439.80
IUPAC Namebis(2,6-dichlorophenolate);titanium(4+);dichloride
SMILES[Cl-].[Cl-].[O-]c1c(Cl)cccc1Cl.[O-]c1c(Cl)cccc1Cl.[Ti+4]
InChIInChI=1S/2C6H4Cl2O.2ClH.Ti/c2*7-4-2-1-3-5(8)6(4)9;;;/h2*1-3,9H;2*1H;/q;;;;+4/p-4
InChIKeyCAHLEFHEKLUSNC-UHFFFAOYSA-J
XLogP-1.86
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.76
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(2,6-dichlorophenolate);titanium(4+);dichloride?
The IUPAC name of bis(2,6-dichlorophenolate);titanium(4+);dichloride (CID 100950871) is bis(2,6-dichlorophenolate);titanium(4+);dichloride.
What is the SMILES notation for bis(2,6-dichlorophenolate);titanium(4+);dichloride?
The canonical SMILES for bis(2,6-dichlorophenolate);titanium(4+);dichloride is [Cl-].[Cl-].[O-]c1c(Cl)cccc1Cl.[O-]c1c(Cl)cccc1Cl.[Ti+4].
What is the InChIKey of bis(2,6-dichlorophenolate);titanium(4+);dichloride?
The InChIKey is CAHLEFHEKLUSNC-UHFFFAOYSA-J. The full InChI is InChI=1S/2C6H4Cl2O.2ClH.Ti/c2*7-4-2-1-3-5(8)6(4)9;;;/h2*1-3,9H;2*1H;/q;;;;+4/p-4.
What are the key properties of bis(2,6-dichlorophenolate);titanium(4+);dichloride?
bis(2,6-dichlorophenolate);titanium(4+);dichloride has a molecular weight of 442.76 g/mol, XLogP of -1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dichlorophenolate);titanium(4+);dichloride is sourced from PubChem (CID 100950871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).