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

CH3ClHgO5P2+2 — CID 88679481

IUPACchloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium
SMILESCCl.O=[P+]([O-])O[P+](=O)[O-].[Hg+2]
InChIInChI=1S/CH3Cl.Hg.O5P2/c1-2;;1-6(2)5-7(3)4/h1H3;;/q;+2;
InChIKeyPCNSZFAZRUHTRX-UHFFFAOYSA-N
MW393.02 g/mol
LogP-0.11
Rot. Bonds2

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

chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium (PubChem CID 88679481) has the molecular formula CH3ClHgO5P2+2 and a molecular weight of 393.02 g/mol. Its IUPAC name is chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium.

Molecular Properties

Compound Namechloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium
PubChem CID88679481
Molecular FormulaCH3ClHgO5P2+2
Molecular Weight393.02 g/mol
Exact Mass393.88
IUPAC Namechloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium
SMILESCCl.O=[P+]([O-])O[P+](=O)[O-].[Hg+2]
InChIInChI=1S/CH3Cl.Hg.O5P2/c1-2;;1-6(2)5-7(3)4/h1H3;;/q;+2;
InChIKeyPCNSZFAZRUHTRX-UHFFFAOYSA-N
XLogP-0.11
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.02
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium?
The IUPAC name of chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium (CID 88679481) is chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium.
What is the SMILES notation for chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium?
The canonical SMILES for chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium is CCl.O=[P+]([O-])O[P+](=O)[O-].[Hg+2].
What is the InChIKey of chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium?
The InChIKey is PCNSZFAZRUHTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3Cl.Hg.O5P2/c1-2;;1-6(2)5-7(3)4/h1H3;;/q;+2;.
What are the key properties of chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium?
chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium has a molecular weight of 393.02 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;mercury(2+);oxido-oxo-phosphooxyphosphanium is sourced from PubChem (CID 88679481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).