[chloro(hydroxy)methyl] hypochlorite

CH2Cl2O2 — CID 170558121

IUPAC[chloro(hydroxy)methyl] hypochlorite
SMILESOC(Cl)OCl
InChIInChI=1S/CH2Cl2O2/c2-1(4)5-3/h1,4H
InChIKeyNLSTZVTUHSXOEU-UHFFFAOYSA-N
MW116.93 g/mol
LogP0.67
Rot. Bonds1

About [chloro(hydroxy)methyl] hypochlorite

[chloro(hydroxy)methyl] hypochlorite (PubChem CID 170558121) has the molecular formula CH2Cl2O2 and a molecular weight of 116.93 g/mol. Its IUPAC name is [chloro(hydroxy)methyl] hypochlorite.

Molecular Properties

Compound Name[chloro(hydroxy)methyl] hypochlorite
PubChem CID170558121
Molecular FormulaCH2Cl2O2
Molecular Weight116.93 g/mol
Exact Mass115.94
IUPAC Name[chloro(hydroxy)methyl] hypochlorite
SMILESOC(Cl)OCl
InChIInChI=1S/CH2Cl2O2/c2-1(4)5-3/h1,4H
InChIKeyNLSTZVTUHSXOEU-UHFFFAOYSA-N
XLogP0.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.93
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [chloro(hydroxy)methyl] hypochlorite?
The IUPAC name of [chloro(hydroxy)methyl] hypochlorite (CID 170558121) is [chloro(hydroxy)methyl] hypochlorite.
What is the SMILES notation for [chloro(hydroxy)methyl] hypochlorite?
The canonical SMILES for [chloro(hydroxy)methyl] hypochlorite is OC(Cl)OCl.
What is the InChIKey of [chloro(hydroxy)methyl] hypochlorite?
The InChIKey is NLSTZVTUHSXOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2Cl2O2/c2-1(4)5-3/h1,4H.
What are the key properties of [chloro(hydroxy)methyl] hypochlorite?
[chloro(hydroxy)methyl] hypochlorite has a molecular weight of 116.93 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(hydroxy)methyl] hypochlorite is sourced from PubChem (CID 170558121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).