4-[(4-nitrophenyl)methoxy]benzaldehyde

• ChemBase ID: 87744
• Molecular Formular: C14H11NO4
• Molecular Mass: 257.24144
• Monoisotopic Mass: 257.06880784
• SMILES: O=Cc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
• Canonical SMILES: O=Cc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C14H11NO4/c16-9-11-3-7-14(8-4-11)19-10-12-1-5-13(6-2-12)15(17)18/h1-9H,10H2
• InChIKey: RIYUFYPNHRLRON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(4-nitrophenyl)methoxy]benzaldehyde
• IUPAC Traditional name: 4-[(4-nitrophenyl)methoxy]benzaldehyde
• Synonyms: 4-(4-Nitrobenzyloxy)benzaldehyde; 4-[(4-Formylphenoxy)methyl]nitrobenzene; 4-[(4-Nitrobenzyl)oxy]benzaldehyde 98%; 4-(4-硝基苯甲氧基)苯甲醛

Database IDs

• CAS Number: 67565-48-4
• MDL Number: MFCD00017041
• Beilstein Number: 1884256
• PubChem SID: 162074784
• PubChem CID: 735836

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1925342
• LogD (pH = 7.4): 3.1925342
• Log P: 3.1925342
• Molar Refractivity: 70.0383 cm^3
• Polarizability: 26.201393 Å^3
• Polar Surface Area: 69.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128-132°C; 128-132°C

Safety Information

• Storage Warning: Air Sensitive; Irritant/Air Sensitive/Store under Argon
• TSCA Listed: 否

Product Information

• Purity: 98%