(2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate

C14H6Cl4O4 — CID 21225802

IUPAC(2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate
SMILESO=C(OOC(=O)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H6Cl4O4/c15-9-5-1-3-7(11(9)17)13(19)21-22-14(20)8-4-2-6-10(16)12(8)18/h1-6H
InChIKeyBOOBDAVNHSOIDB-UHFFFAOYSA-N
MW380.01 g/mol
LogP5.23
Rot. Bonds2

About (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate

(2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate (PubChem CID 21225802) has the molecular formula C14H6Cl4O4 and a molecular weight of 380.01 g/mol. Its IUPAC name is (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate.

Molecular Properties

Compound Name(2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate
PubChem CID21225802
Molecular FormulaC14H6Cl4O4
Molecular Weight380.01 g/mol
Exact Mass377.90
IUPAC Name(2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate
SMILESO=C(OOC(=O)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C14H6Cl4O4/c15-9-5-1-3-7(11(9)17)13(19)21-22-14(20)8-4-2-6-10(16)12(8)18/h1-6H
InChIKeyBOOBDAVNHSOIDB-UHFFFAOYSA-N
XLogP5.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.01
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate?
The IUPAC name of (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate (CID 21225802) is (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate.
What is the SMILES notation for (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate?
The canonical SMILES for (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate is O=C(OOC(=O)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate?
The InChIKey is BOOBDAVNHSOIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl4O4/c15-9-5-1-3-7(11(9)17)13(19)21-22-14(20)8-4-2-6-10(16)12(8)18/h1-6H.
What are the key properties of (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate?
(2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate has a molecular weight of 380.01 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorobenzoyl) 2,3-dichlorobenzenecarboperoxoate is sourced from PubChem (CID 21225802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).