2,4,6-trichlorobenzoyl chloride

C7H2Cl4O — CID 2733703

IUPAC2,4,6-trichlorobenzoyl chloride
SMILESO=C(Cl)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
InChIKeyOZGSEIVTQLXWRO-UHFFFAOYSA-N
MW243.90 g/mol
LogP4.03
Rot. Bonds1

About 2,4,6-trichlorobenzoyl chloride

2,4,6-trichlorobenzoyl chloride (PubChem CID 2733703) has the molecular formula C7H2Cl4O and a molecular weight of 243.90 g/mol. Its IUPAC name is 2,4,6-trichlorobenzoyl chloride.

Molecular Properties

Compound Name2,4,6-trichlorobenzoyl chloride
PubChem CID2733703
Molecular FormulaC7H2Cl4O
Molecular Weight243.90 g/mol
Exact Mass241.89
IUPAC Name2,4,6-trichlorobenzoyl chloride
SMILESO=C(Cl)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H
InChIKeyOZGSEIVTQLXWRO-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.90
LogP ≤ 54.03
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 2,4,6-trichlorobenzoyl chloride?
The IUPAC name of 2,4,6-trichlorobenzoyl chloride (CID 2733703) is 2,4,6-trichlorobenzoyl chloride.
What is the SMILES notation for 2,4,6-trichlorobenzoyl chloride?
The canonical SMILES for 2,4,6-trichlorobenzoyl chloride is O=C(Cl)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichlorobenzoyl chloride?
The InChIKey is OZGSEIVTQLXWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl4O/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H.
What are the key properties of 2,4,6-trichlorobenzoyl chloride?
2,4,6-trichlorobenzoyl chloride has a molecular weight of 243.90 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichlorobenzoyl chloride is sourced from PubChem (CID 2733703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).