barium(2+);dichlorate;hydrate

H2BaCl2O7 — CID 516901

IUPACbarium(2+);dichlorate;hydrate
SMILESO.[Ba+2].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-]
InChIInChI=1S/Ba.2ClO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;
InChIKeyCPCUQGOWNKFXQP-UHFFFAOYSA-N
MW322.24 g/mol
LogP-8.34
Rot. Bonds

About barium(2+);dichlorate;hydrate

barium(2+);dichlorate;hydrate (PubChem CID 516901) has the molecular formula H2BaCl2O7 and a molecular weight of 322.24 g/mol. Its IUPAC name is barium(2+);dichlorate;hydrate.

Molecular Properties

Compound Namebarium(2+);dichlorate;hydrate
PubChem CID516901
Molecular FormulaH2BaCl2O7
Molecular Weight322.24 g/mol
Exact Mass321.82
IUPAC Namebarium(2+);dichlorate;hydrate
SMILESO.[Ba+2].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-]
InChIInChI=1S/Ba.2ClO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;
InChIKeyCPCUQGOWNKFXQP-UHFFFAOYSA-N
XLogP-8.34
TPSA169.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.24
LogP ≤ 5-8.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 23666904
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CID 162222149
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Frequently Asked Questions

What is the IUPAC name of barium(2+);dichlorate;hydrate?
The IUPAC name of barium(2+);dichlorate;hydrate (CID 516901) is barium(2+);dichlorate;hydrate.
What is the SMILES notation for barium(2+);dichlorate;hydrate?
The canonical SMILES for barium(2+);dichlorate;hydrate is O.[Ba+2].[O-][Cl+2]([O-])[O-].[O-][Cl+2]([O-])[O-].
What is the InChIKey of barium(2+);dichlorate;hydrate?
The InChIKey is CPCUQGOWNKFXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.2ClO3.H2O/c;2*2-1(3)4;/h;;;1H2/q+2;2*-1;.
What are the key properties of barium(2+);dichlorate;hydrate?
barium(2+);dichlorate;hydrate has a molecular weight of 322.24 g/mol, XLogP of -8.34, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);dichlorate;hydrate is sourced from PubChem (CID 516901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).