azanium;barium(2+);oxalate;chloride

C2H4BaClNO4 — CID 162639609

IUPACazanium;barium(2+);oxalate;chloride
SMILESO=C([O-])C(=O)[O-].[Ba+2].[Cl-].[NH4+]
InChIInChI=1S/C2H2O4.Ba.ClH.H3N/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;1H;1H3/q;+2;;/p-2
InChIKeyHYOFJJBDFZDCOY-UHFFFAOYSA-L
MW278.84 g/mol
LogP-6.51
Rot. Bonds

About azanium;barium(2+);oxalate;chloride

azanium;barium(2+);oxalate;chloride (PubChem CID 162639609) has the molecular formula C2H4BaClNO4 and a molecular weight of 278.84 g/mol. Its IUPAC name is azanium;barium(2+);oxalate;chloride.

Molecular Properties

Compound Nameazanium;barium(2+);oxalate;chloride
PubChem CID162639609
Molecular FormulaC2H4BaClNO4
Molecular Weight278.84 g/mol
Exact Mass278.89
IUPAC Nameazanium;barium(2+);oxalate;chloride
SMILESO=C([O-])C(=O)[O-].[Ba+2].[Cl-].[NH4+]
InChIInChI=1S/C2H2O4.Ba.ClH.H3N/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;1H;1H3/q;+2;;/p-2
InChIKeyHYOFJJBDFZDCOY-UHFFFAOYSA-L
XLogP-6.51
TPSA116.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.84
LogP ≤ 5-6.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azanium;barium(2+);oxalate;chloride?
The IUPAC name of azanium;barium(2+);oxalate;chloride (CID 162639609) is azanium;barium(2+);oxalate;chloride.
What is the SMILES notation for azanium;barium(2+);oxalate;chloride?
The canonical SMILES for azanium;barium(2+);oxalate;chloride is O=C([O-])C(=O)[O-].[Ba+2].[Cl-].[NH4+].
What is the InChIKey of azanium;barium(2+);oxalate;chloride?
The InChIKey is HYOFJJBDFZDCOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2O4.Ba.ClH.H3N/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;1H;1H3/q;+2;;/p-2.
What are the key properties of azanium;barium(2+);oxalate;chloride?
azanium;barium(2+);oxalate;chloride has a molecular weight of 278.84 g/mol, XLogP of -6.51, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;barium(2+);oxalate;chloride is sourced from PubChem (CID 162639609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).