titanium(4+);tribromide;phenoxide

C6H5Br3OTi — CID 174515680

IUPACtitanium(4+);tribromide;phenoxide
SMILES[Br-].[Br-].[Br-].[O-]c1ccccc1.[Ti+4]
InChIInChI=1S/C6H6O.3BrH.Ti/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H;/q;;;;+4/p-4
InChIKeyJLNNIQWQBNFNSZ-UHFFFAOYSA-J
MW380.68 g/mol
LogP-8.23
Rot. Bonds

About titanium(4+);tribromide;phenoxide

titanium(4+);tribromide;phenoxide (PubChem CID 174515680) has the molecular formula C6H5Br3OTi and a molecular weight of 380.68 g/mol. Its IUPAC name is titanium(4+);tribromide;phenoxide.

Molecular Properties

Compound Nametitanium(4+);tribromide;phenoxide
PubChem CID174515680
Molecular FormulaC6H5Br3OTi
Molecular Weight380.68 g/mol
Exact Mass377.74
IUPAC Nametitanium(4+);tribromide;phenoxide
SMILES[Br-].[Br-].[Br-].[O-]c1ccccc1.[Ti+4]
InChIInChI=1S/C6H6O.3BrH.Ti/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H;/q;;;;+4/p-4
InChIKeyJLNNIQWQBNFNSZ-UHFFFAOYSA-J
XLogP-8.23
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.68
LogP ≤ 5-8.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of titanium(4+);tribromide;phenoxide?
The IUPAC name of titanium(4+);tribromide;phenoxide (CID 174515680) is titanium(4+);tribromide;phenoxide.
What is the SMILES notation for titanium(4+);tribromide;phenoxide?
The canonical SMILES for titanium(4+);tribromide;phenoxide is [Br-].[Br-].[Br-].[O-]c1ccccc1.[Ti+4].
What is the InChIKey of titanium(4+);tribromide;phenoxide?
The InChIKey is JLNNIQWQBNFNSZ-UHFFFAOYSA-J. The full InChI is InChI=1S/C6H6O.3BrH.Ti/c7-6-4-2-1-3-5-6;;;;/h1-5,7H;3*1H;/q;;;;+4/p-4.
What are the key properties of titanium(4+);tribromide;phenoxide?
titanium(4+);tribromide;phenoxide has a molecular weight of 380.68 g/mol, XLogP of -8.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for titanium(4+);tribromide;phenoxide is sourced from PubChem (CID 174515680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).