1,2-dioxine;molecular chlorine

C4H4Cl2O2 — CID 155665892

IUPAC1,2-dioxine;molecular chlorine
SMILESC1=COOC=C1.ClCl
InChIInChI=1S/C4H4O2.Cl2/c1-2-4-6-5-3-1;1-2/h1-4H;
InChIKeyJUNZJXBCLIOAPO-UHFFFAOYSA-N
MW154.98 g/mol
LogP2.35
Rot. Bonds

About 1,2-dioxine;molecular chlorine

1,2-dioxine;molecular chlorine (PubChem CID 155665892) has the molecular formula C4H4Cl2O2 and a molecular weight of 154.98 g/mol. Its IUPAC name is 1,2-dioxine;molecular chlorine.

Molecular Properties

Compound Name1,2-dioxine;molecular chlorine
PubChem CID155665892
Molecular FormulaC4H4Cl2O2
Molecular Weight154.98 g/mol
Exact Mass153.96
IUPAC Name1,2-dioxine;molecular chlorine
SMILESC1=COOC=C1.ClCl
InChIInChI=1S/C4H4O2.Cl2/c1-2-4-6-5-3-1;1-2/h1-4H;
InChIKeyJUNZJXBCLIOAPO-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.98
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dioxine;molecular chlorine?
The IUPAC name of 1,2-dioxine;molecular chlorine (CID 155665892) is 1,2-dioxine;molecular chlorine.
What is the SMILES notation for 1,2-dioxine;molecular chlorine?
The canonical SMILES for 1,2-dioxine;molecular chlorine is C1=COOC=C1.ClCl.
What is the InChIKey of 1,2-dioxine;molecular chlorine?
The InChIKey is JUNZJXBCLIOAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O2.Cl2/c1-2-4-6-5-3-1;1-2/h1-4H;.
What are the key properties of 1,2-dioxine;molecular chlorine?
1,2-dioxine;molecular chlorine has a molecular weight of 154.98 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dioxine;molecular chlorine is sourced from PubChem (CID 155665892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).