CID 173053587

H2AlBTi — CID 173053587

IUPAC—
SMILES[AlH2].[B].[Ti]
InChIInChI=1S/Al.B.Ti.2H
InChIKeySDEHFQAINMHOTF-UHFFFAOYSA-N
MW87.68 g/mol
LogP-1.30
Rot. Bonds

About CID 173053587

CID 173053587 (PubChem CID 173053587) has the molecular formula H2AlBTi and a molecular weight of 87.68 g/mol.

Molecular Properties

Compound NameCID 173053587
PubChem CID173053587
Molecular FormulaH2AlBTi
Molecular Weight87.68 g/mol
Exact Mass87.95
IUPAC Name—
SMILES[AlH2].[B].[Ti]
InChIInChI=1S/Al.B.Ti.2H
InChIKeySDEHFQAINMHOTF-UHFFFAOYSA-N
XLogP-1.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.68
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173053587?
The IUPAC name of CID 173053587 (CID 173053587) is not available.
What is the SMILES notation for CID 173053587?
The canonical SMILES for CID 173053587 is [AlH2].[B].[Ti].
What is the InChIKey of CID 173053587?
The InChIKey is SDEHFQAINMHOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.B.Ti.2H.
What are the key properties of CID 173053587?
CID 173053587 has a molecular weight of 87.68 g/mol, XLogP of -1.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173053587 is sourced from PubChem (CID 173053587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).