hafnium;oxoalumane;oxotantalum

HAlHfO2Ta — CID 175553503

IUPAChafnium;oxoalumane;oxotantalum
SMILESO=[AlH].O=[Ta].[Hf]
InChIInChI=1S/Al.Hf.2O.Ta.H
InChIKeyTWBKTQAPXJYWSB-UHFFFAOYSA-N
MW419.43 g/mol
LogP-0.89
Rot. Bonds

About hafnium;oxoalumane;oxotantalum

hafnium;oxoalumane;oxotantalum (PubChem CID 175553503) has the molecular formula HAlHfO2Ta and a molecular weight of 419.43 g/mol. Its IUPAC name is hafnium;oxoalumane;oxotantalum.

Molecular Properties

Compound Namehafnium;oxoalumane;oxotantalum
PubChem CID175553503
Molecular FormulaHAlHfO2Ta
Molecular Weight419.43 g/mol
Exact Mass420.87
IUPAC Namehafnium;oxoalumane;oxotantalum
SMILESO=[AlH].O=[Ta].[Hf]
InChIInChI=1S/Al.Hf.2O.Ta.H
InChIKeyTWBKTQAPXJYWSB-UHFFFAOYSA-N
XLogP-0.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 5-0.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of hafnium;oxoalumane;oxotantalum?
The IUPAC name of hafnium;oxoalumane;oxotantalum (CID 175553503) is hafnium;oxoalumane;oxotantalum.
What is the SMILES notation for hafnium;oxoalumane;oxotantalum?
The canonical SMILES for hafnium;oxoalumane;oxotantalum is O=[AlH].O=[Ta].[Hf].
What is the InChIKey of hafnium;oxoalumane;oxotantalum?
The InChIKey is TWBKTQAPXJYWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.Hf.2O.Ta.H.
What are the key properties of hafnium;oxoalumane;oxotantalum?
hafnium;oxoalumane;oxotantalum has a molecular weight of 419.43 g/mol, XLogP of -0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium;oxoalumane;oxotantalum is sourced from PubChem (CID 175553503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).