5-chloropentanal

• ChemBase ID: 288157
• Molecular Formular: C5H9ClO
• Molecular Mass: 120.57736
• Monoisotopic Mass: 120.03419259
• SMILES: ClCCCCC=O
• Canonical SMILES: ClCCCCC=O
• InChI: InChI=1S/C5H9ClO/c6-4-2-1-3-5-7/h5H,1-4H2
• InChIKey: ZNLHWEDEIKEQDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloropentanal
• IUPAC Traditional name: 5-chlorovaleroyl
• Synonyms: 5-Chloropentanal

Database IDs

• CAS Number: 20074-80-0
• MDL Number: MFCD09753736
• PubChem SID: 180673688
• PubChem CID: 643048

CALCULATED PROPERTIES

• Acid pKa: 17.60356
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1256244
• LogD (pH = 7.4): 1.1256244
• Log P: 1.1256244
• Molar Refractivity: 30.5269 cm^3
• Polarizability: 11.862141 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%