2-(4-iodophenyl)acetyl chloride

C8H6ClIO — CID 13340573

IUPAC2-(4-iodophenyl)acetyl chloride
SMILESO=C(Cl)Cc1ccc(I)cc1
InChIInChI=1S/C8H6ClIO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKeyFMPZAAJFLNAMAC-UHFFFAOYSA-N
MW280.49 g/mol
LogP2.60
Rot. Bonds2

About 2-(4-iodophenyl)acetyl chloride

2-(4-iodophenyl)acetyl chloride (PubChem CID 13340573) has the molecular formula C8H6ClIO and a molecular weight of 280.49 g/mol. Its IUPAC name is 2-(4-iodophenyl)acetyl chloride.

Molecular Properties

Compound Name2-(4-iodophenyl)acetyl chloride
PubChem CID13340573
Molecular FormulaC8H6ClIO
Molecular Weight280.49 g/mol
Exact Mass279.92
IUPAC Name2-(4-iodophenyl)acetyl chloride
SMILESO=C(Cl)Cc1ccc(I)cc1
InChIInChI=1S/C8H6ClIO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2
InChIKeyFMPZAAJFLNAMAC-UHFFFAOYSA-N
XLogP2.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)acetyl chloride?
The IUPAC name of 2-(4-iodophenyl)acetyl chloride (CID 13340573) is 2-(4-iodophenyl)acetyl chloride.
What is the SMILES notation for 2-(4-iodophenyl)acetyl chloride?
The canonical SMILES for 2-(4-iodophenyl)acetyl chloride is O=C(Cl)Cc1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)acetyl chloride?
The InChIKey is FMPZAAJFLNAMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClIO/c9-8(11)5-6-1-3-7(10)4-2-6/h1-4H,5H2.
What are the key properties of 2-(4-iodophenyl)acetyl chloride?
2-(4-iodophenyl)acetyl chloride has a molecular weight of 280.49 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)acetyl chloride is sourced from PubChem (CID 13340573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).