4-chlorobenzoyl chloride

C7H4Cl2O — CID 8501

IUPAC4-chlorobenzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKeyRKIDDEGICSMIJA-UHFFFAOYSA-N
MW175.01 g/mol
LogP2.72
Rot. Bonds1

About 4-chlorobenzoyl chloride

4-chlorobenzoyl chloride (PubChem CID 8501) has the molecular formula C7H4Cl2O and a molecular weight of 175.01 g/mol. Its IUPAC name is 4-chlorobenzoyl chloride.

Molecular Properties

Compound Name4-chlorobenzoyl chloride
PubChem CID8501
Molecular FormulaC7H4Cl2O
Molecular Weight175.01 g/mol
Exact Mass173.96
IUPAC Name4-chlorobenzoyl chloride
SMILESO=C(Cl)c1ccc(Cl)cc1
InChIInChI=1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H
InChIKeyRKIDDEGICSMIJA-UHFFFAOYSA-N
XLogP2.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.01
LogP ≤ 52.72
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 4-chlorobenzoyl chloride?
The IUPAC name of 4-chlorobenzoyl chloride (CID 8501) is 4-chlorobenzoyl chloride.
What is the SMILES notation for 4-chlorobenzoyl chloride?
The canonical SMILES for 4-chlorobenzoyl chloride is O=C(Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chlorobenzoyl chloride?
The InChIKey is RKIDDEGICSMIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4H.
What are the key properties of 4-chlorobenzoyl chloride?
4-chlorobenzoyl chloride has a molecular weight of 175.01 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobenzoyl chloride is sourced from PubChem (CID 8501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).