CID 173169857

BFeO2 — CID 173169857

IUPAC—
SMILESO=[Fe].[B]=O
InChIInChI=1S/BO.Fe.O/c1-2;;
InChIKeyARZSWHQCEGVKDC-UHFFFAOYSA-N
MW98.65 g/mol
LogP-0.62
Rot. Bonds

About CID 173169857

CID 173169857 (PubChem CID 173169857) has the molecular formula BFeO2 and a molecular weight of 98.65 g/mol.

Molecular Properties

Compound NameCID 173169857
PubChem CID173169857
Molecular FormulaBFeO2
Molecular Weight98.65 g/mol
Exact Mass98.93
IUPAC Name—
SMILESO=[Fe].[B]=O
InChIInChI=1S/BO.Fe.O/c1-2;;
InChIKeyARZSWHQCEGVKDC-UHFFFAOYSA-N
XLogP-0.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.65
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 173169857?
The IUPAC name of CID 173169857 (CID 173169857) is not available.
What is the SMILES notation for CID 173169857?
The canonical SMILES for CID 173169857 is O=[Fe].[B]=O.
What is the InChIKey of CID 173169857?
The InChIKey is ARZSWHQCEGVKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/BO.Fe.O/c1-2;;.
What are the key properties of CID 173169857?
CID 173169857 has a molecular weight of 98.65 g/mol, XLogP of -0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173169857 is sourced from PubChem (CID 173169857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).