barium(2+);iron(2+)

BaFe+4 — CID 22731603

IUPACbarium(2+);iron(2+)
SMILES[Ba+2].[Fe+2]
InChIInChI=1S/Ba.Fe/q2*+2
InChIKeyRDBGVWRGDPGBJL-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.38
Rot. Bonds

About barium(2+);iron(2+)

barium(2+);iron(2+) (PubChem CID 22731603) has the molecular formula BaFe+4 and a molecular weight of 193.17 g/mol. Its IUPAC name is barium(2+);iron(2+).

Molecular Properties

Compound Namebarium(2+);iron(2+)
PubChem CID22731603
Molecular FormulaBaFe+4
Molecular Weight193.17 g/mol
Exact Mass193.84
IUPAC Namebarium(2+);iron(2+)
SMILES[Ba+2].[Fe+2]
InChIInChI=1S/Ba.Fe/q2*+2
InChIKeyRDBGVWRGDPGBJL-UHFFFAOYSA-N
XLogP-0.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms2
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.38
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 barium(2+);iron(2+)?
The IUPAC name of barium(2+);iron(2+) (CID 22731603) is barium(2+);iron(2+).
What is the SMILES notation for barium(2+);iron(2+)?
The canonical SMILES for barium(2+);iron(2+) is [Ba+2].[Fe+2].
What is the InChIKey of barium(2+);iron(2+)?
The InChIKey is RDBGVWRGDPGBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Fe/q2*+2.
What are the key properties of barium(2+);iron(2+)?
barium(2+);iron(2+) has a molecular weight of 193.17 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);iron(2+) is sourced from PubChem (CID 22731603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).