2,5-dichlorobenzoyl chloride

C7H3Cl3O — CID 17945

IUPAC2,5-dichlorobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H
InChIKeyRSINFFVFOTUDEC-UHFFFAOYSA-N
MW209.46 g/mol
LogP3.37
Rot. Bonds1

About 2,5-dichlorobenzoyl chloride

2,5-dichlorobenzoyl chloride (PubChem CID 17945) has the molecular formula C7H3Cl3O and a molecular weight of 209.46 g/mol. Its IUPAC name is 2,5-dichlorobenzoyl chloride.

Molecular Properties

Compound Name2,5-dichlorobenzoyl chloride
PubChem CID17945
Molecular FormulaC7H3Cl3O
Molecular Weight209.46 g/mol
Exact Mass207.92
IUPAC Name2,5-dichlorobenzoyl chloride
SMILESO=C(Cl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H
InChIKeyRSINFFVFOTUDEC-UHFFFAOYSA-N
XLogP3.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.46
LogP ≤ 53.37
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 2,5-dichlorobenzoyl chloride?
The IUPAC name of 2,5-dichlorobenzoyl chloride (CID 17945) is 2,5-dichlorobenzoyl chloride.
What is the SMILES notation for 2,5-dichlorobenzoyl chloride?
The canonical SMILES for 2,5-dichlorobenzoyl chloride is O=C(Cl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichlorobenzoyl chloride?
The InChIKey is RSINFFVFOTUDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl3O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H.
What are the key properties of 2,5-dichlorobenzoyl chloride?
2,5-dichlorobenzoyl chloride has a molecular weight of 209.46 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorobenzoyl chloride is sourced from PubChem (CID 17945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).