chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium

CH3Cl2O3P2+ — CID 152697602

IUPACchloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium
SMILESCP(=O)(Cl)O[P+](=O)Cl
InChIInChI=1S/CH3Cl2O3P2/c1-8(3,5)6-7(2)4/h1H3/q+1
InChIKeyKWCDHNFBEPRVMX-UHFFFAOYSA-N
MW195.89 g/mol
LogP2.96
Rot. Bonds2

About chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium

chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium (PubChem CID 152697602) has the molecular formula CH3Cl2O3P2+ and a molecular weight of 195.89 g/mol. Its IUPAC name is chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium.

Molecular Properties

Compound Namechloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium
PubChem CID152697602
Molecular FormulaCH3Cl2O3P2+
Molecular Weight195.89 g/mol
Exact Mass194.89
IUPAC Namechloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium
SMILESCP(=O)(Cl)O[P+](=O)Cl
InChIInChI=1S/CH3Cl2O3P2/c1-8(3,5)6-7(2)4/h1H3/q+1
InChIKeyKWCDHNFBEPRVMX-UHFFFAOYSA-N
XLogP2.96
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.89
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium?
The IUPAC name of chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium (CID 152697602) is chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium.
What is the SMILES notation for chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium?
The canonical SMILES for chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium is CP(=O)(Cl)O[P+](=O)Cl.
What is the InChIKey of chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium?
The InChIKey is KWCDHNFBEPRVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3Cl2O3P2/c1-8(3,5)6-7(2)4/h1H3/q+1.
What are the key properties of chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium?
chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium has a molecular weight of 195.89 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[chloro(methyl)phosphoryl]oxy-oxophosphanium is sourced from PubChem (CID 152697602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).