1-(chloromethyl)-4-ethoxybenzene

• ChemBase ID: 293951
• Molecular Formular: C9H11ClO
• Molecular Mass: 170.63604
• Monoisotopic Mass: 170.04984265
• SMILES: CCOc1ccc(CCl)cc1
• Canonical SMILES: CCOc1ccc(cc1)CCl
• InChI: InChI=1S/C9H11ClO/c1-2-11-9-5-3-8(7-10)4-6-9/h3-6H,2,7H2,1H3
• InChIKey: DCLMJYZEOSDVCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(chloromethyl)-4-ethoxybenzene
• IUPAC Traditional name: 1-(chloromethyl)-4-ethoxybenzene
• Synonyms: 1-(Chloromethyl)-4-ethoxybenzene

Database IDs

• CAS Number: 6653-80-1
• MDL Number: MFCD00123292
• PubChem SID: 180679482
• PubChem CID: 2063971

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7596245
• LogD (pH = 7.4): 2.7596245
• Log P: 2.7596245
• Molar Refractivity: 47.1367 cm^3
• Polarizability: 18.338905 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%