2-(2-bromophenoxy)acetyl chloride

• ChemBase ID: 56673
• Molecular Formular: C8H6BrClO2
• Molecular Mass: 249.48904
• Monoisotopic Mass: 247.92396911
• SMILES: C(=O)(COc1c(Br)cccc1)Cl
• Canonical SMILES: ClC(=O)COc1ccccc1Br
• InChI: InChI=1S/C8H6BrClO2/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2
• InChIKey: PONCSXBMRXZDAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-bromophenoxy)acetyl chloride
• IUPAC Traditional name: 2-(2-bromophenoxy)acetyl chloride
• Synonyms: (2-Bromophenoxy)acetyl chloride

Database IDs

• MDL Number: MFCD02295743
• PubChem SID: 162061436
• PubChem CID: 12231701

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5956402
• LogD (pH = 7.4): 2.5956402
• Log P: 2.5956402
• Molar Refractivity: 50.0871 cm^3
• Polarizability: 19.617222 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false