3-methoxy-4-(4-nitrophenoxy)benzaldehyde

• ChemBase ID: 310806
• Molecular Formular: C14H11NO5
• Molecular Mass: 273.24084
• Monoisotopic Mass: 273.06372246
• SMILES: [N+](=O)(c1ccc(Oc2c(cc(C=O)cc2)OC)cc1)[O-]
• Canonical SMILES: O=Cc1ccc(c(c1)OC)Oc1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C14H11NO5/c1-19-14-8-10(9-16)2-7-13(14)20-12-5-3-11(4-6-12)15(17)18/h2-9H,1H3
• InChIKey: RIXNXQQGIBEEIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-4-(4-nitrophenoxy)benzaldehyde
• IUPAC Traditional name: 3-methoxy-4-(4-nitrophenoxy)benzaldehyde
• Synonyms: 3-methoxy-4-(4-nitrophenoxy)benzaldehyde

Database IDs

• CAS Number: 166904-09-2
• MDL Number: MFCD02105997

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9683483
• LogD (pH = 7.4): 2.9683483
• Log P: 2.9683483
• Molar Refractivity: 71.6665 cm^3
• Polarizability: 26.969818 Å^3
• Polar Surface Area: 78.67 Å^2