iron(2+);methoxy-dioxido-oxo-λ5-arsane

CH3AsFeO4 — CID 140986176

IUPACiron(2+);methoxy-dioxido-oxo-λ5-arsane
SMILESCO[As](=O)([O-])[O-].[Fe+2]
InChIInChI=1S/CH5AsO4.Fe/c1-6-2(3,4)5;/h1H3,(H2,3,4,5);/q;+2/p-2
InChIKeyWLILFGDBBMIGOP-UHFFFAOYSA-L
MW209.80 g/mol
LogP-2.78
Rot. Bonds1

About iron(2+);methoxy-dioxido-oxo-λ5-arsane

iron(2+);methoxy-dioxido-oxo-λ5-arsane (PubChem CID 140986176) has the molecular formula CH3AsFeO4 and a molecular weight of 209.80 g/mol. Its IUPAC name is iron(2+);methoxy-dioxido-oxo-λ5-arsane.

Molecular Properties

Compound Nameiron(2+);methoxy-dioxido-oxo-λ5-arsane
PubChem CID140986176
Molecular FormulaCH3AsFeO4
Molecular Weight209.80 g/mol
Exact Mass209.86
IUPAC Nameiron(2+);methoxy-dioxido-oxo-λ5-arsane
SMILESCO[As](=O)([O-])[O-].[Fe+2]
InChIInChI=1S/CH5AsO4.Fe/c1-6-2(3,4)5;/h1H3,(H2,3,4,5);/q;+2/p-2
InChIKeyWLILFGDBBMIGOP-UHFFFAOYSA-L
XLogP-2.78
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.80
LogP ≤ 5-2.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 iron(2+);methoxy-dioxido-oxo-λ5-arsane?
The IUPAC name of iron(2+);methoxy-dioxido-oxo-λ5-arsane (CID 140986176) is iron(2+);methoxy-dioxido-oxo-λ5-arsane.
What is the SMILES notation for iron(2+);methoxy-dioxido-oxo-λ5-arsane?
The canonical SMILES for iron(2+);methoxy-dioxido-oxo-λ5-arsane is CO[As](=O)([O-])[O-].[Fe+2].
What is the InChIKey of iron(2+);methoxy-dioxido-oxo-λ5-arsane?
The InChIKey is WLILFGDBBMIGOP-UHFFFAOYSA-L. The full InChI is InChI=1S/CH5AsO4.Fe/c1-6-2(3,4)5;/h1H3,(H2,3,4,5);/q;+2/p-2.
What are the key properties of iron(2+);methoxy-dioxido-oxo-λ5-arsane?
iron(2+);methoxy-dioxido-oxo-λ5-arsane has a molecular weight of 209.80 g/mol, XLogP of -2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iron(2+);methoxy-dioxido-oxo-λ5-arsane is sourced from PubChem (CID 140986176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).