2-(chloromethyl)-4-fluoro-1-methoxybenzene

• ChemBase ID: 240567
• Molecular Formular: C8H8ClFO
• Molecular Mass: 174.5999232
• Monoisotopic Mass: 174.02477078
• SMILES: c1(c(ccc(c1)F)OC)CCl
• Canonical SMILES: ClCc1cc(F)ccc1OC
• InChI: InChI=1S/C8H8ClFO/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3
• InChIKey: FOTSHPRQKUKARE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(chloromethyl)-4-fluoro-1-methoxybenzene
• IUPAC Traditional name: 2-(chloromethyl)-4-fluoro-1-methoxybenzene
• Synonyms: 2-(chloromethyl)-4-fluoro-1-methoxybenzene

Database IDs

• CAS Number: 19415-40-8
• MDL Number: MFCD06362467
• PubChem SID: 164296477
• PubChem CID: 302686

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5455186
• LogD (pH = 7.4): 2.5455186
• Log P: 2.5455186
• Molar Refractivity: 42.6045 cm^3
• Polarizability: 16.226675 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 2.906

Product Information

• Purity: 95%