methyl 2-(5-fluoro-2-nitrophenoxy)acetate

• ChemBase ID: 95395
• Molecular Formular: C9H8FNO5
• Molecular Mass: 229.1619232
• Monoisotopic Mass: 229.03865058
• SMILES: [N+](=O)(c1ccc(cc1OCC(=O)OC)F)[O-]
• Canonical SMILES: [O-][N+](=O)c1ccc(cc1OCC(=O)OC)F
• InChI: InChI=1S/C9H8FNO5/c1-15-9(12)5-16-8-4-6(10)2-3-7(8)11(13)14/h2-4H,5H2,1H3
• InChIKey: ODNCCKAYVNDMJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(5-fluoro-2-nitrophenoxy)acetate
• IUPAC Traditional name: methyl 2-(5-fluoro-2-nitrophenoxy)acetate
• Synonyms: methyl 2-(5-fluoro-2-nitrophenoxy)acetate

Database IDs

• MDL Number: MFCD00117826
• PubChem SID: 162082044
• PubChem CID: 2779697

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.522138
• LogD (pH = 7.4): 1.522138
• Log P: 1.522138
• Molar Refractivity: 50.916 cm^3
• Polarizability: 19.118204 Å^3
• Polar Surface Area: 81.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true