barium(2+);hydride;dihydrate;hydrochloride

H7BaClO2 — CID 173000878

IUPACbarium(2+);hydride;dihydrate;hydrochloride
SMILESCl.O.O.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.ClH.2H2O.2H/h;1H;2*1H2;;/q+2;;;;2*-1
InChIKeyUESNWMIBCMRTQI-UHFFFAOYSA-N
MW211.84 g/mol
LogP-1.38
Rot. Bonds

About barium(2+);hydride;dihydrate;hydrochloride

barium(2+);hydride;dihydrate;hydrochloride (PubChem CID 173000878) has the molecular formula H7BaClO2 and a molecular weight of 211.84 g/mol. Its IUPAC name is barium(2+);hydride;dihydrate;hydrochloride.

Molecular Properties

Compound Namebarium(2+);hydride;dihydrate;hydrochloride
PubChem CID173000878
Molecular FormulaH7BaClO2
Molecular Weight211.84 g/mol
Exact Mass211.92
IUPAC Namebarium(2+);hydride;dihydrate;hydrochloride
SMILESCl.O.O.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.ClH.2H2O.2H/h;1H;2*1H2;;/q+2;;;;2*-1
InChIKeyUESNWMIBCMRTQI-UHFFFAOYSA-N
XLogP-1.38
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.84
LogP ≤ 5-1.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;dihydrate;hydrochloride?
The IUPAC name of barium(2+);hydride;dihydrate;hydrochloride (CID 173000878) is barium(2+);hydride;dihydrate;hydrochloride.
What is the SMILES notation for barium(2+);hydride;dihydrate;hydrochloride?
The canonical SMILES for barium(2+);hydride;dihydrate;hydrochloride is Cl.O.O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;dihydrate;hydrochloride?
The InChIKey is UESNWMIBCMRTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.ClH.2H2O.2H/h;1H;2*1H2;;/q+2;;;;2*-1.
What are the key properties of barium(2+);hydride;dihydrate;hydrochloride?
barium(2+);hydride;dihydrate;hydrochloride has a molecular weight of 211.84 g/mol, XLogP of -1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;dihydrate;hydrochloride is sourced from PubChem (CID 173000878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).