4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde

• ChemBase ID: 26076
• Molecular Formular: C15H12ClFO3
• Molecular Mass: 294.7053832
• Monoisotopic Mass: 294.04590014
• SMILES: c1(COc2c(cc(C=O)cc2)OC)c(F)cccc1Cl
• Canonical SMILES: O=Cc1ccc(c(c1)OC)OCc1c(F)cccc1Cl
• InChI: InChI=1S/C15H12ClFO3/c1-19-15-7-10(8-18)5-6-14(15)20-9-11-12(16)3-2-4-13(11)17/h2-8H,9H2,1H3
• InChIKey: GYBXSWQBJQILED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
• IUPAC Traditional name: 4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
• Synonyms: 2-[(2-Chloro-6-fluorobenzyl)oxy]-5-formylanisole; 4-[(2-Chloro-6-fluorobenzyl)oxy]-3-methoxybenzaldehyde 97%; 4-[(2-Chloro-6-fluorobenzyl)oxy]-3-methoxybenzaldehyde

Database IDs

• CAS Number: 306934-75-8
• MDL Number: MFCD01590672
• PubChem SID: 160989383
• PubChem CID: 735741

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8416255
• LogD (pH = 7.4): 3.8416255
• Log P: 3.8416255
• Molar Refractivity: 75.2022 cm^3
• Polarizability: 28.44052 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124-126°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%