3-phenoxybenzoyl chloride

• ChemBase ID: 92848
• Molecular Formular: C13H9ClO2
• Molecular Mass: 232.66236
• Monoisotopic Mass: 232.02910721
• SMILES: O(c1cccc(c1)C(=O)Cl)c1ccccc1
• Canonical SMILES: ClC(=O)c1cccc(c1)Oc1ccccc1
• InChI: InChI=1S/C13H9ClO2/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H
• InChIKey: TTZXIWBOKOZOPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenoxybenzoyl chloride
• IUPAC Traditional name: 3-phenoxybenzoyl chloride
• Synonyms: 3-phenoxybenzoyl chloride; 3-Phenoxybenzoyl chloride 97%

Database IDs

• CAS Number: 3586-15-0
• MDL Number: MFCD03424712
• PubChem SID: 162079546
• PubChem CID: 2760341

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.6644456
• LogD (pH = 7.4): 3.6644456
• Log P: 3.6644456
• Molar Refractivity: 63.4135 cm^3
• Polarizability: 24.39545 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%