ethyl 2-(2-nitrophenoxy)acetate

• ChemBase ID: 83419
• Molecular Formular: C10H11NO5
• Molecular Mass: 225.19804
• Monoisotopic Mass: 225.06372246
• SMILES: [N+](=O)(c1ccccc1OCC(=O)OCC)[O-]
• Canonical SMILES: CCOC(=O)COc1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C10H11NO5/c1-2-15-10(12)7-16-9-6-4-3-5-8(9)11(13)14/h3-6H,2,7H2,1H3
• InChIKey: ULWPSRBTOBHBKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 2-(2-nitrophenoxy)acetate
• IUPAC Traditional name: ethyl 2-(2-nitrophenoxy)acetate
• Synonyms: ethyl 2-(2-nitrophenoxy)acetate

Database IDs

• MDL Number: MFCD00100679
• PubChem SID: 162070537
• PubChem CID: 591948

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7362441
• LogD (pH = 7.4): 1.7362441
• Log P: 1.7362441
• Molar Refractivity: 55.4482 cm^3
• Polarizability: 21.109112 Å^3
• Polar Surface Area: 81.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true