2-chloro-5-ethoxy-4-(prop-2-en-1-yloxy)benzaldehyde

• ChemBase ID: 311968
• Molecular Formular: C12H13ClO3
• Molecular Mass: 240.68282
• Monoisotopic Mass: 240.05532196
• SMILES: c1(c(cc(c(c1)OCC)OCC=C)Cl)C=O
• Canonical SMILES: C=CCOc1cc(Cl)c(cc1OCC)C=O
• InChI: InChI=1S/C12H13ClO3/c1-3-5-16-12-7-10(13)9(8-14)6-11(12)15-4-2/h3,6-8H,1,4-5H2,2H3
• InChIKey: GRKKQNMAJYLASY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-ethoxy-4-(prop-2-en-1-yloxy)benzaldehyde
• IUPAC Traditional name: 2-chloro-5-ethoxy-4-(prop-2-en-1-yloxy)benzaldehyde
• Synonyms: 4-(allyloxy)-2-chloro-5-ethoxybenzaldehyde

Database IDs

• CAS Number: 692268-01-2
• MDL Number: MFCD02379982

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.062508
• LogD (pH = 7.4): 3.062508
• Log P: 3.062508
• Molar Refractivity: 64.2845 cm^3
• Polarizability: 24.440926 Å^3
• Polar Surface Area: 35.53 Å^2