(2-chlorobenzoyl) 2-chlorobenzoate

C14H8Cl2O3 — CID 587573

IUPAC(2-chlorobenzoyl) 2-chlorobenzoate
SMILESO=C(OC(=O)c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H8Cl2O3/c15-11-7-3-1-5-9(11)13(17)19-14(18)10-6-2-4-8-12(10)16/h1-8H
InChIKeyOLENANGIJWDOPG-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.99
Rot. Bonds2

About (2-chlorobenzoyl) 2-chlorobenzoate

(2-chlorobenzoyl) 2-chlorobenzoate (PubChem CID 587573) has the molecular formula C14H8Cl2O3 and a molecular weight of 295.12 g/mol. Its IUPAC name is (2-chlorobenzoyl) 2-chlorobenzoate.

Molecular Properties

Compound Name(2-chlorobenzoyl) 2-chlorobenzoate
PubChem CID587573
Molecular FormulaC14H8Cl2O3
Molecular Weight295.12 g/mol
Exact Mass293.99
IUPAC Name(2-chlorobenzoyl) 2-chlorobenzoate
SMILESO=C(OC(=O)c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C14H8Cl2O3/c15-11-7-3-1-5-9(11)13(17)19-14(18)10-6-2-4-8-12(10)16/h1-8H
InChIKeyOLENANGIJWDOPG-UHFFFAOYSA-N
XLogP3.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chlorobenzoyl) 2-chlorobenzoate?
The IUPAC name of (2-chlorobenzoyl) 2-chlorobenzoate (CID 587573) is (2-chlorobenzoyl) 2-chlorobenzoate.
What is the SMILES notation for (2-chlorobenzoyl) 2-chlorobenzoate?
The canonical SMILES for (2-chlorobenzoyl) 2-chlorobenzoate is O=C(OC(=O)c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of (2-chlorobenzoyl) 2-chlorobenzoate?
The InChIKey is OLENANGIJWDOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O3/c15-11-7-3-1-5-9(11)13(17)19-14(18)10-6-2-4-8-12(10)16/h1-8H.
What are the key properties of (2-chlorobenzoyl) 2-chlorobenzoate?
(2-chlorobenzoyl) 2-chlorobenzoate has a molecular weight of 295.12 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorobenzoyl) 2-chlorobenzoate is sourced from PubChem (CID 587573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).