1-(2-nitrophenoxy)naphthalene

• ChemBase ID: 89578
• Molecular Formular: C16H11NO3
• Molecular Mass: 265.26344
• Monoisotopic Mass: 265.07389322
• SMILES: O(c1cccc2c1cccc2)c1ccccc1[N+](=O)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccccc1Oc1cccc2c1cccc2
• InChI: InChI=1S/C16H11NO3/c18-17(19)14-9-3-4-10-16(14)20-15-11-5-7-12-6-1-2-8-13(12)15/h1-11H
• InChIKey: VIDIKVBBTTXDOH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-nitrophenoxy)naphthalene
• IUPAC Traditional name: 1-(2-nitrophenoxy)naphthalene
• Synonyms: 1-(2-Nitrophenoxy)naphthalene

Database IDs

• MDL Number: MFCD03094669
• PubChem SID: 162076453
• PubChem CID: 2737061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.402994
• LogD (pH = 7.4): 4.402994
• Log P: 4.402994
• Molar Refractivity: 76.0737 cm^3
• Polarizability: 30.03324 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant