CID 173355893

AlB2Ti — CID 173355893

IUPAC—
SMILES[Al].[B].[B].[Ti]
InChIInChI=1S/Al.2B.Ti
InChIKeyFHSLZZXSPCINPC-UHFFFAOYSA-N
MW96.47 g/mol
LogP-1.14
Rot. Bonds

About CID 173355893

CID 173355893 (PubChem CID 173355893) has the molecular formula AlB2Ti and a molecular weight of 96.47 g/mol.

Molecular Properties

Compound NameCID 173355893
PubChem CID173355893
Molecular FormulaAlB2Ti
Molecular Weight96.47 g/mol
Exact Mass96.95
IUPAC Name—
SMILES[Al].[B].[B].[Ti]
InChIInChI=1S/Al.2B.Ti
InChIKeyFHSLZZXSPCINPC-UHFFFAOYSA-N
XLogP-1.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.47
LogP ≤ 5-1.14
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 173355893?
The IUPAC name of CID 173355893 (CID 173355893) is not available.
What is the SMILES notation for CID 173355893?
The canonical SMILES for CID 173355893 is [Al].[B].[B].[Ti].
What is the InChIKey of CID 173355893?
The InChIKey is FHSLZZXSPCINPC-UHFFFAOYSA-N. The full InChI is InChI=1S/Al.2B.Ti.
What are the key properties of CID 173355893?
CID 173355893 has a molecular weight of 96.47 g/mol, XLogP of -1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173355893 is sourced from PubChem (CID 173355893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).