2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride

C13H6Cl4O — CID 118010558

IUPAC2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride
SMILESO=C(Cl)c1cc(-c2ccccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6Cl4O/c14-10-4-2-1-3-7(10)8-5-9(13(17)18)12(16)6-11(8)15/h1-6H
InChIKeyVOGPNWYJQAZTJX-UHFFFAOYSA-N
MW320.00 g/mol
LogP5.69
Rot. Bonds2

About 2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride

2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride (PubChem CID 118010558) has the molecular formula C13H6Cl4O and a molecular weight of 320.00 g/mol. Its IUPAC name is 2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride.

Molecular Properties

Compound Name2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride
PubChem CID118010558
Molecular FormulaC13H6Cl4O
Molecular Weight320.00 g/mol
Exact Mass317.92
IUPAC Name2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride
SMILESO=C(Cl)c1cc(-c2ccccc2Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H6Cl4O/c14-10-4-2-1-3-7(10)8-5-9(13(17)18)12(16)6-11(8)15/h1-6H
InChIKeyVOGPNWYJQAZTJX-UHFFFAOYSA-N
XLogP5.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.00
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride?
The IUPAC name of 2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride (CID 118010558) is 2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride.
What is the SMILES notation for 2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride?
The canonical SMILES for 2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride is O=C(Cl)c1cc(-c2ccccc2Cl)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride?
The InChIKey is VOGPNWYJQAZTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4O/c14-10-4-2-1-3-7(10)8-5-9(13(17)18)12(16)6-11(8)15/h1-6H.
What are the key properties of 2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride?
2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride has a molecular weight of 320.00 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(2-chlorophenyl)benzoyl chloride is sourced from PubChem (CID 118010558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).