5-chloro-2-ethoxybenzaldehyde

• ChemBase ID: 26007
• Molecular Formular: C9H9ClO2
• Molecular Mass: 184.61956
• Monoisotopic Mass: 184.02910721
• SMILES: c1(c(ccc(c1)Cl)OCC)C=O
• Canonical SMILES: CCOc1ccc(cc1C=O)Cl
• InChI: InChI=1S/C9H9ClO2/c1-2-12-9-4-3-8(10)5-7(9)6-11/h3-6H,2H2,1H3
• InChIKey: JVUJRLHWDLJULI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-ethoxybenzaldehyde
• IUPAC Traditional name: 5-chloro-2-ethoxybenzaldehyde
• Synonyms: 5-Chloro-2-ethoxybenzaldehyde

Database IDs

• CAS Number: 27682-64-0
• MDL Number: MFCD03422440
• PubChem SID: 160989314
• PubChem CID: 278989

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4889295
• LogD (pH = 7.4): 2.4889295
• Log P: 2.4889295
• Molar Refractivity: 48.6586 cm^3
• Polarizability: 18.462824 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.058

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%