2-(naphthalen-2-yloxy)acetyl chloride

• ChemBase ID: 56667
• Molecular Formular: C12H9ClO2
• Molecular Mass: 220.65166
• Monoisotopic Mass: 220.02910721
• SMILES: C(=O)(COc1cc2c(cc1)cccc2)Cl
• Canonical SMILES: ClC(=O)COc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H9ClO2/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2
• InChIKey: PAOBXXMBVWFWMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yloxy)acetyl chloride
• IUPAC Traditional name: 2-(naphthalen-2-yloxy)acetyl chloride
• Synonyms: (2-Naphthyloxy)acetyl chloride

Database IDs

• MDL Number: MFCD03421421
• PubChem SID: 162061430
• PubChem CID: 12261030

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8163643
• LogD (pH = 7.4): 2.8163643
• Log P: 2.8163643
• Molar Refractivity: 58.9145 cm^3
• Polarizability: 24.115004 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.526

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%