barium(2+);carbonate;chloride

CBaClO3- — CID 21197201

IUPACbarium(2+);carbonate;chloride
SMILESO=C([O-])[O-].[Ba+2].[Cl-]
InChIInChI=1S/CH2O3.Ba.ClH/c2-1(3)4;;/h(H2,2,3,4);;1H/q;+2;/p-3
InChIKeyLKOGCJXBXLUJIB-UHFFFAOYSA-K
MW232.79 g/mol
LogP-5.82
Rot. Bonds

About barium(2+);carbonate;chloride

barium(2+);carbonate;chloride (PubChem CID 21197201) has the molecular formula CBaClO3- and a molecular weight of 232.79 g/mol. Its IUPAC name is barium(2+);carbonate;chloride.

Molecular Properties

Compound Namebarium(2+);carbonate;chloride
PubChem CID21197201
Molecular FormulaCBaClO3-
Molecular Weight232.79 g/mol
Exact Mass232.86
IUPAC Namebarium(2+);carbonate;chloride
SMILESO=C([O-])[O-].[Ba+2].[Cl-]
InChIInChI=1S/CH2O3.Ba.ClH/c2-1(3)4;;/h(H2,2,3,4);;1H/q;+2;/p-3
InChIKeyLKOGCJXBXLUJIB-UHFFFAOYSA-K
XLogP-5.82
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.79
LogP ≤ 5-5.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 173498505
sodium;barium(2+);hydrogen carbonate;carbonate
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magnesium;potassium;sodium;carbonate;dichloride
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Frequently Asked Questions

What is the IUPAC name of barium(2+);carbonate;chloride?
The IUPAC name of barium(2+);carbonate;chloride (CID 21197201) is barium(2+);carbonate;chloride.
What is the SMILES notation for barium(2+);carbonate;chloride?
The canonical SMILES for barium(2+);carbonate;chloride is O=C([O-])[O-].[Ba+2].[Cl-].
What is the InChIKey of barium(2+);carbonate;chloride?
The InChIKey is LKOGCJXBXLUJIB-UHFFFAOYSA-K. The full InChI is InChI=1S/CH2O3.Ba.ClH/c2-1(3)4;;/h(H2,2,3,4);;1H/q;+2;/p-3.
What are the key properties of barium(2+);carbonate;chloride?
barium(2+);carbonate;chloride has a molecular weight of 232.79 g/mol, XLogP of -5.82, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);carbonate;chloride is sourced from PubChem (CID 21197201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).