[chlorooxy(methyl)phosphoryl] hypochlorite

CH3Cl2O3P — CID 23175688

IUPAC[chlorooxy(methyl)phosphoryl] hypochlorite
SMILESCP(=O)(OCl)OCl
InChIInChI=1S/CH3Cl2O3P/c1-7(4,5-2)6-3/h1H3
InChIKeyKRGZCHAOUZYHTC-UHFFFAOYSA-N
MW164.91 g/mol
LogP2.15
Rot. Bonds2

About [chlorooxy(methyl)phosphoryl] hypochlorite

[chlorooxy(methyl)phosphoryl] hypochlorite (PubChem CID 23175688) has the molecular formula CH3Cl2O3P and a molecular weight of 164.91 g/mol. Its IUPAC name is [chlorooxy(methyl)phosphoryl] hypochlorite.

Molecular Properties

Compound Name[chlorooxy(methyl)phosphoryl] hypochlorite
PubChem CID23175688
Molecular FormulaCH3Cl2O3P
Molecular Weight164.91 g/mol
Exact Mass163.92
IUPAC Name[chlorooxy(methyl)phosphoryl] hypochlorite
SMILESCP(=O)(OCl)OCl
InChIInChI=1S/CH3Cl2O3P/c1-7(4,5-2)6-3/h1H3
InChIKeyKRGZCHAOUZYHTC-UHFFFAOYSA-N
XLogP2.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.91
LogP ≤ 52.15
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 [chlorooxy(methyl)phosphoryl] hypochlorite?
The IUPAC name of [chlorooxy(methyl)phosphoryl] hypochlorite (CID 23175688) is [chlorooxy(methyl)phosphoryl] hypochlorite.
What is the SMILES notation for [chlorooxy(methyl)phosphoryl] hypochlorite?
The canonical SMILES for [chlorooxy(methyl)phosphoryl] hypochlorite is CP(=O)(OCl)OCl.
What is the InChIKey of [chlorooxy(methyl)phosphoryl] hypochlorite?
The InChIKey is KRGZCHAOUZYHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3Cl2O3P/c1-7(4,5-2)6-3/h1H3.
What are the key properties of [chlorooxy(methyl)phosphoryl] hypochlorite?
[chlorooxy(methyl)phosphoryl] hypochlorite has a molecular weight of 164.91 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chlorooxy(methyl)phosphoryl] hypochlorite is sourced from PubChem (CID 23175688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).