chloranium;barium(2+);tribromide

H2BaBr3Cl — CID 172832633

IUPACchloranium;barium(2+);tribromide
SMILES[Ba+2].[Br-].[Br-].[Br-].[ClH2+]
InChIInChI=1S/Ba.3BrH.ClH2/h;3*1H;1H2/q+2;;;;+1/p-3
InChIKeyGHKRXAJHCKJTIQ-UHFFFAOYSA-K
MW414.51 g/mol
LogP-9.90
Rot. Bonds

About chloranium;barium(2+);tribromide

chloranium;barium(2+);tribromide (PubChem CID 172832633) has the molecular formula H2BaBr3Cl and a molecular weight of 414.51 g/mol. Its IUPAC name is chloranium;barium(2+);tribromide.

Molecular Properties

Compound Namechloranium;barium(2+);tribromide
PubChem CID172832633
Molecular FormulaH2BaBr3Cl
Molecular Weight414.51 g/mol
Exact Mass411.64
IUPAC Namechloranium;barium(2+);tribromide
SMILES[Ba+2].[Br-].[Br-].[Br-].[ClH2+]
InChIInChI=1S/Ba.3BrH.ClH2/h;3*1H;1H2/q+2;;;;+1/p-3
InChIKeyGHKRXAJHCKJTIQ-UHFFFAOYSA-K
XLogP-9.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 5-9.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of chloranium;barium(2+);tribromide?
The IUPAC name of chloranium;barium(2+);tribromide (CID 172832633) is chloranium;barium(2+);tribromide.
What is the SMILES notation for chloranium;barium(2+);tribromide?
The canonical SMILES for chloranium;barium(2+);tribromide is [Ba+2].[Br-].[Br-].[Br-].[ClH2+].
What is the InChIKey of chloranium;barium(2+);tribromide?
The InChIKey is GHKRXAJHCKJTIQ-UHFFFAOYSA-K. The full InChI is InChI=1S/Ba.3BrH.ClH2/h;3*1H;1H2/q+2;;;;+1/p-3.
What are the key properties of chloranium;barium(2+);tribromide?
chloranium;barium(2+);tribromide has a molecular weight of 414.51 g/mol, XLogP of -9.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloranium;barium(2+);tribromide is sourced from PubChem (CID 172832633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).