barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium

CH3BaClO5P2+2 — CID 88679376

IUPACbarium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium
SMILESCCl.O=[P+]([O-])O[P+](=O)[O-].[Ba+2]
InChIInChI=1S/CH3Cl.Ba.O5P2/c1-2;;1-6(2)5-7(3)4/h1H3;;/q;+2;
InChIKeySSUMYUFQOPRAAW-UHFFFAOYSA-N
MW329.76 g/mol
LogP-0.49
Rot. Bonds2

About barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium

barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium (PubChem CID 88679376) has the molecular formula CH3BaClO5P2+2 and a molecular weight of 329.76 g/mol. Its IUPAC name is barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium.

Molecular Properties

Compound Namebarium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium
PubChem CID88679376
Molecular FormulaCH3BaClO5P2+2
Molecular Weight329.76 g/mol
Exact Mass329.82
IUPAC Namebarium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium
SMILESCCl.O=[P+]([O-])O[P+](=O)[O-].[Ba+2]
InChIInChI=1S/CH3Cl.Ba.O5P2/c1-2;;1-6(2)5-7(3)4/h1H3;;/q;+2;
InChIKeySSUMYUFQOPRAAW-UHFFFAOYSA-N
XLogP-0.49
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium?
The IUPAC name of barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium (CID 88679376) is barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium.
What is the SMILES notation for barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium?
The canonical SMILES for barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium is CCl.O=[P+]([O-])O[P+](=O)[O-].[Ba+2].
What is the InChIKey of barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium?
The InChIKey is SSUMYUFQOPRAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3Cl.Ba.O5P2/c1-2;;1-6(2)5-7(3)4/h1H3;;/q;+2;.
What are the key properties of barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium?
barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium has a molecular weight of 329.76 g/mol, XLogP of -0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);chloromethane;oxido-oxo-phosphooxyphosphanium is sourced from PubChem (CID 88679376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).