barium(2+);bis(oxido-oxo-phenylphosphanium)

C12H10BaO4P2+2 — CID 12822253

IUPACbarium(2+);bis(oxido-oxo-phenylphosphanium)
SMILESO=[P+]([O-])c1ccccc1.O=[P+]([O-])c1ccccc1.[Ba+2]
InChIInChI=1S/2C6H5O2P.Ba/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H;/q;;+2
InChIKeyYCEGUCDEYZOBQM-UHFFFAOYSA-N
MW417.48 g/mol
LogP0.45
Rot. Bonds2

About barium(2+);bis(oxido-oxo-phenylphosphanium)

barium(2+);bis(oxido-oxo-phenylphosphanium) (PubChem CID 12822253) has the molecular formula C12H10BaO4P2+2 and a molecular weight of 417.48 g/mol. Its IUPAC name is barium(2+);bis(oxido-oxo-phenylphosphanium).

Molecular Properties

Compound Namebarium(2+);bis(oxido-oxo-phenylphosphanium)
PubChem CID12822253
Molecular FormulaC12H10BaO4P2+2
Molecular Weight417.48 g/mol
Exact Mass417.91
IUPAC Namebarium(2+);bis(oxido-oxo-phenylphosphanium)
SMILESO=[P+]([O-])c1ccccc1.O=[P+]([O-])c1ccccc1.[Ba+2]
InChIInChI=1S/2C6H5O2P.Ba/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H;/q;;+2
InChIKeyYCEGUCDEYZOBQM-UHFFFAOYSA-N
XLogP0.45
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.48
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

sodium oxido-oxo-phenylphosphanium
CID 6364990
[C-(dimethylazaniumyl)carbonimidoyl]-dimethylazanium;oxido-oxo-phenylphosphanium
CID 110190741
2-carboxyethylaluminum(2+);bis(oxido-oxo-phenylphosphanium)
CID 174870395
cadmium;oxo(diphenyl)phosphanium
CID 174925548
hydroxy-oxo-phenylphosphanium;zinc
CID 66795245
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
methanol;oxo(diphenyl)phosphanium
CID 174996285
oxo-bis(3-phenylphenyl)phosphanium
CID 71115203
dichloroplatinum;oxo(diphenyl)phosphanium
CID 174623297
dimagnesium;hydroxy-oxo-phenylphosphanium;tetrachloride
CID 172736603
aminooxy-oxo-phenylphosphanium
CID 67992641
copper(1+);oxido-oxo-phenoxyphosphanium
CID 166721703

Frequently Asked Questions

What is the IUPAC name of barium(2+);bis(oxido-oxo-phenylphosphanium)?
The IUPAC name of barium(2+);bis(oxido-oxo-phenylphosphanium) (CID 12822253) is barium(2+);bis(oxido-oxo-phenylphosphanium).
What is the SMILES notation for barium(2+);bis(oxido-oxo-phenylphosphanium)?
The canonical SMILES for barium(2+);bis(oxido-oxo-phenylphosphanium) is O=[P+]([O-])c1ccccc1.O=[P+]([O-])c1ccccc1.[Ba+2].
What is the InChIKey of barium(2+);bis(oxido-oxo-phenylphosphanium)?
The InChIKey is YCEGUCDEYZOBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5O2P.Ba/c2*7-9(8)6-4-2-1-3-5-6;/h2*1-5H;/q;;+2.
What are the key properties of barium(2+);bis(oxido-oxo-phenylphosphanium)?
barium(2+);bis(oxido-oxo-phenylphosphanium) has a molecular weight of 417.48 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);bis(oxido-oxo-phenylphosphanium) is sourced from PubChem (CID 12822253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).