2-(naphthalen-2-yloxy)acetonitrile

• ChemBase ID: 255224
• Molecular Formular: C12H9NO
• Molecular Mass: 183.20596
• Monoisotopic Mass: 183.06841391
• SMILES: N#CCOc1cc2c(cc1)cccc2
• Canonical SMILES: N#CCOc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H9NO/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,8H2
• InChIKey: YVRXIVWRURPCRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(naphthalen-2-yloxy)acetonitrile
• IUPAC Traditional name: 2-(naphthalen-2-yloxy)acetonitrile
• Synonyms: (2-naphthyloxy)acetonitrile

Database IDs

• CAS Number: 104097-35-0
• MDL Number: MFCD00245496
• PubChem SID: 164311134
• PubChem CID: 1567745

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3409834
• LogD (pH = 7.4): 2.3409834
• Log P: 2.3409834
• Molar Refractivity: 54.0353 cm^3
• Polarizability: 22.084837 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.22

Product Information

• Purity: 95%