dibromoiron;hydrate

H2Br2FeO — CID 91886320

IUPACdibromoiron;hydrate
SMILESBr[Fe]Br.O
InChIInChI=1S/2BrH.Fe.H2O/h2*1H;;1H2/q;;+2;/p-2
InChIKeyJOFNEGXELTXFTH-UHFFFAOYSA-L
MW233.67 g/mol
LogP0.86
Rot. Bonds

About dibromoiron;hydrate

dibromoiron;hydrate (PubChem CID 91886320) has the molecular formula H2Br2FeO and a molecular weight of 233.67 g/mol. Its IUPAC name is dibromoiron;hydrate.

Molecular Properties

Compound Namedibromoiron;hydrate
PubChem CID91886320
Molecular FormulaH2Br2FeO
Molecular Weight233.67 g/mol
Exact Mass231.78
IUPAC Namedibromoiron;hydrate
SMILESBr[Fe]Br.O
InChIInChI=1S/2BrH.Fe.H2O/h2*1H;;1H2/q;;+2;/p-2
InChIKeyJOFNEGXELTXFTH-UHFFFAOYSA-L
XLogP0.86
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 50.86
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 dibromoiron;hydrate?
The IUPAC name of dibromoiron;hydrate (CID 91886320) is dibromoiron;hydrate.
What is the SMILES notation for dibromoiron;hydrate?
The canonical SMILES for dibromoiron;hydrate is Br[Fe]Br.O.
What is the InChIKey of dibromoiron;hydrate?
The InChIKey is JOFNEGXELTXFTH-UHFFFAOYSA-L. The full InChI is InChI=1S/2BrH.Fe.H2O/h2*1H;;1H2/q;;+2;/p-2.
What are the key properties of dibromoiron;hydrate?
dibromoiron;hydrate has a molecular weight of 233.67 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibromoiron;hydrate is sourced from PubChem (CID 91886320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).