tris(barium(2+));dicarbonate;dichloride

C2Ba3Cl2O6 — CID 173439508

IUPACtris(barium(2+));dicarbonate;dichloride
SMILESO=C([O-])[O-].O=C([O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Cl-].[Cl-]
InChIInChI=1S/2CH2O3.3Ba.2ClH/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);;;;2*1H/q;;3*+2;;/p-6
InChIKeyOPZRPFVPBYAYQU-UHFFFAOYSA-H
MW602.91 g/mol
LogP-12.03
Rot. Bonds

About tris(barium(2+));dicarbonate;dichloride

tris(barium(2+));dicarbonate;dichloride (PubChem CID 173439508) has the molecular formula C2Ba3Cl2O6 and a molecular weight of 602.91 g/mol. Its IUPAC name is tris(barium(2+));dicarbonate;dichloride.

Molecular Properties

Compound Nametris(barium(2+));dicarbonate;dichloride
PubChem CID173439508
Molecular FormulaC2Ba3Cl2O6
Molecular Weight602.91 g/mol
Exact Mass603.62
IUPAC Nametris(barium(2+));dicarbonate;dichloride
SMILESO=C([O-])[O-].O=C([O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Cl-].[Cl-]
InChIInChI=1S/2CH2O3.3Ba.2ClH/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);;;;2*1H/q;;3*+2;;/p-6
InChIKeyOPZRPFVPBYAYQU-UHFFFAOYSA-H
XLogP-12.03
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.91
LogP ≤ 5-12.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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barium(2+);boric acid;carbonate
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sodium;barium(2+);cerium(3+);dicarbonate;difluoride
CID 173498505
sodium;barium(2+);hydrogen carbonate;carbonate
CID 159640552
magnesium;potassium;sodium;carbonate;dichloride
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Frequently Asked Questions

What is the IUPAC name of tris(barium(2+));dicarbonate;dichloride?
The IUPAC name of tris(barium(2+));dicarbonate;dichloride (CID 173439508) is tris(barium(2+));dicarbonate;dichloride.
What is the SMILES notation for tris(barium(2+));dicarbonate;dichloride?
The canonical SMILES for tris(barium(2+));dicarbonate;dichloride is O=C([O-])[O-].O=C([O-])[O-].[Ba+2].[Ba+2].[Ba+2].[Cl-].[Cl-].
What is the InChIKey of tris(barium(2+));dicarbonate;dichloride?
The InChIKey is OPZRPFVPBYAYQU-UHFFFAOYSA-H. The full InChI is InChI=1S/2CH2O3.3Ba.2ClH/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);;;;2*1H/q;;3*+2;;/p-6.
What are the key properties of tris(barium(2+));dicarbonate;dichloride?
tris(barium(2+));dicarbonate;dichloride has a molecular weight of 602.91 g/mol, XLogP of -12.03, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(barium(2+));dicarbonate;dichloride is sourced from PubChem (CID 173439508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).