2-(naphthalen-1-yloxy)acetyl chloride

• ChemBase ID: 56298
• Molecular Formular: C12H9ClO2
• Molecular Mass: 220.65166
• Monoisotopic Mass: 220.02910721
• SMILES: C(=O)(COc1c2c(ccc1)cccc2)Cl
• Canonical SMILES: ClC(=O)COc1cccc2c1cccc2
• InChI: InChI=1S/C12H9ClO2/c13-12(14)8-15-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2
• InChIKey: ZOORULWLQVVPOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-1-yloxy)acetyl chloride
• IUPAC Traditional name: 2-(naphthalen-1-yloxy)acetyl chloride
• Synonyms: (1-Naphthyloxy)acetyl chloride

Database IDs

• CAS Number: 2007-12-7
• MDL Number: MFCD12025104
• PubChem SID: 162061061
• PubChem CID: 292530

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: 24.11882 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