2-(3-bromophenyl)acetyl chloride

C8H6BrClO — CID 13486899

IUPAC2-(3-bromophenyl)acetyl chloride
SMILESO=C(Cl)Cc1cccc(Br)c1
InChIInChI=1S/C8H6BrClO/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2
InChIKeyDFKQZCVLSJIRES-UHFFFAOYSA-N
MW233.49 g/mol
LogP2.76
Rot. Bonds2

About 2-(3-bromophenyl)acetyl chloride

2-(3-bromophenyl)acetyl chloride (PubChem CID 13486899) has the molecular formula C8H6BrClO and a molecular weight of 233.49 g/mol. Its IUPAC name is 2-(3-bromophenyl)acetyl chloride.

Molecular Properties

Compound Name2-(3-bromophenyl)acetyl chloride
PubChem CID13486899
Molecular FormulaC8H6BrClO
Molecular Weight233.49 g/mol
Exact Mass231.93
IUPAC Name2-(3-bromophenyl)acetyl chloride
SMILESO=C(Cl)Cc1cccc(Br)c1
InChIInChI=1S/C8H6BrClO/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2
InChIKeyDFKQZCVLSJIRES-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.49
LogP ≤ 52.76
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-(3-bromophenyl)acetyl chloride?
The IUPAC name of 2-(3-bromophenyl)acetyl chloride (CID 13486899) is 2-(3-bromophenyl)acetyl chloride.
What is the SMILES notation for 2-(3-bromophenyl)acetyl chloride?
The canonical SMILES for 2-(3-bromophenyl)acetyl chloride is O=C(Cl)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)acetyl chloride?
The InChIKey is DFKQZCVLSJIRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2.
What are the key properties of 2-(3-bromophenyl)acetyl chloride?
2-(3-bromophenyl)acetyl chloride has a molecular weight of 233.49 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)acetyl chloride is sourced from PubChem (CID 13486899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).