barium(2+);hypochlorous acid;dichloride

HBaCl3O — CID 174834846

IUPACbarium(2+);hypochlorous acid;dichloride
SMILESOCl.[Ba+2].[Cl-].[Cl-]
InChIInChI=1S/Ba.ClHO.2ClH/c;1-2;;/h;2H;2*1H/q+2;;;/p-2
InChIKeyHVXBDPGCKWVADL-UHFFFAOYSA-L
MW260.69 g/mol
LogP-6.24
Rot. Bonds

About barium(2+);hypochlorous acid;dichloride

barium(2+);hypochlorous acid;dichloride (PubChem CID 174834846) has the molecular formula HBaCl3O and a molecular weight of 260.69 g/mol. Its IUPAC name is barium(2+);hypochlorous acid;dichloride.

Molecular Properties

Compound Namebarium(2+);hypochlorous acid;dichloride
PubChem CID174834846
Molecular FormulaHBaCl3O
Molecular Weight260.69 g/mol
Exact Mass259.81
IUPAC Namebarium(2+);hypochlorous acid;dichloride
SMILESOCl.[Ba+2].[Cl-].[Cl-]
InChIInChI=1S/Ba.ClHO.2ClH/c;1-2;;/h;2H;2*1H/q+2;;;/p-2
InChIKeyHVXBDPGCKWVADL-UHFFFAOYSA-L
XLogP-6.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 5-6.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

hypochlorous acid
CID 161233655
hypochlorous acid;ruthenium(3+)
CID 159707433
CID 173197302
CID 173197302
hypochlorous acid;ruthenium
CID 173006590
alumane;hypochlorous acid
CID 174825069
hypochlorous acid;niobium
CID 173171024
alumane;hypochlorous acid;hydrochloride
CID 172999144
CID 173437313
CID 173437313
copper;hypochlorous acid;hydrate
CID 174814635
CID 158493610
CID 158493610
chlororuthenium;hypochlorous acid
CID 173273285
thiocarbonyl dichloride;hydrofluoride
CID 87355184

Frequently Asked Questions

What is the IUPAC name of barium(2+);hypochlorous acid;dichloride?
The IUPAC name of barium(2+);hypochlorous acid;dichloride (CID 174834846) is barium(2+);hypochlorous acid;dichloride.
What is the SMILES notation for barium(2+);hypochlorous acid;dichloride?
The canonical SMILES for barium(2+);hypochlorous acid;dichloride is OCl.[Ba+2].[Cl-].[Cl-].
What is the InChIKey of barium(2+);hypochlorous acid;dichloride?
The InChIKey is HVXBDPGCKWVADL-UHFFFAOYSA-L. The full InChI is InChI=1S/Ba.ClHO.2ClH/c;1-2;;/h;2H;2*1H/q+2;;;/p-2.
What are the key properties of barium(2+);hypochlorous acid;dichloride?
barium(2+);hypochlorous acid;dichloride has a molecular weight of 260.69 g/mol, XLogP of -6.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hypochlorous acid;dichloride is sourced from PubChem (CID 174834846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).