tantalum(5+);tetrachloride;phenoxide

C6H5Cl4OTa — CID 102588360

IUPACtantalum(5+);tetrachloride;phenoxide
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[O-]c1ccccc1.[Ta+5]
InChIInChI=1S/C6H6O.4ClH.Ta/c7-6-4-2-1-3-5-6;;;;;/h1-5,7H;4*1H;/q;;;;;+5/p-5
InChIKeyHSKRXQVUKIHYQR-UHFFFAOYSA-I
MW415.87 g/mol
LogP-11.23
Rot. Bonds

About tantalum(5+);tetrachloride;phenoxide

tantalum(5+);tetrachloride;phenoxide (PubChem CID 102588360) has the molecular formula C6H5Cl4OTa and a molecular weight of 415.87 g/mol. Its IUPAC name is tantalum(5+);tetrachloride;phenoxide.

Molecular Properties

Compound Nametantalum(5+);tetrachloride;phenoxide
PubChem CID102588360
Molecular FormulaC6H5Cl4OTa
Molecular Weight415.87 g/mol
Exact Mass413.86
IUPAC Nametantalum(5+);tetrachloride;phenoxide
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[O-]c1ccccc1.[Ta+5]
InChIInChI=1S/C6H6O.4ClH.Ta/c7-6-4-2-1-3-5-6;;;;;/h1-5,7H;4*1H;/q;;;;;+5/p-5
InChIKeyHSKRXQVUKIHYQR-UHFFFAOYSA-I
XLogP-11.23
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.87
LogP ≤ 5-11.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of tantalum(5+);tetrachloride;phenoxide?
The IUPAC name of tantalum(5+);tetrachloride;phenoxide (CID 102588360) is tantalum(5+);tetrachloride;phenoxide.
What is the SMILES notation for tantalum(5+);tetrachloride;phenoxide?
The canonical SMILES for tantalum(5+);tetrachloride;phenoxide is [Cl-].[Cl-].[Cl-].[Cl-].[O-]c1ccccc1.[Ta+5].
What is the InChIKey of tantalum(5+);tetrachloride;phenoxide?
The InChIKey is HSKRXQVUKIHYQR-UHFFFAOYSA-I. The full InChI is InChI=1S/C6H6O.4ClH.Ta/c7-6-4-2-1-3-5-6;;;;;/h1-5,7H;4*1H;/q;;;;;+5/p-5.
What are the key properties of tantalum(5+);tetrachloride;phenoxide?
tantalum(5+);tetrachloride;phenoxide has a molecular weight of 415.87 g/mol, XLogP of -11.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tantalum(5+);tetrachloride;phenoxide is sourced from PubChem (CID 102588360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).