2-(2-nitrophenoxy)benzaldehyde

• ChemBase ID: 310607
• Molecular Formular: C13H9NO4
• Molecular Mass: 243.21486
• Monoisotopic Mass: 243.05315777
• SMILES: [N+](=O)(c1c(Oc2c(C=O)cccc2)cccc1)[O-]
• Canonical SMILES: O=Cc1ccccc1Oc1ccccc1[N+](=O)[O-]
• InChI: InChI=1S/C13H9NO4/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-9H
• InChIKey: GJXQFZNGTPPSPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-nitrophenoxy)benzaldehyde
• IUPAC Traditional name: 2-(2-nitrophenoxy)benzaldehyde
• Synonyms: 2-(2-nitrophenoxy)benzaldehyde

Database IDs

• CAS Number: 66961-19-1
• MDL Number: MFCD00156891

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1260195
• LogD (pH = 7.4): 3.1260195
• Log P: 3.1260195
• Molar Refractivity: 65.2033 cm^3
• Polarizability: 24.431852 Å^3
• Polar Surface Area: 69.44 Å^2