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

• ChemBase ID: 239494
• Molecular Formular: C13H10ClFO
• Molecular Mass: 236.6693032
• Monoisotopic Mass: 236.04042084
• SMILES: c1(c(cc(cc1)CCl)F)Oc1ccccc1
• Canonical SMILES: ClCc1ccc(c(c1)F)Oc1ccccc1
• InChI: InChI=1S/C13H10ClFO/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h1-8H,9H2
• InChIKey: SXDMVHPJYVBBTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11190711
• PubChem SID: 164295404
• PubChem CID: 28947197

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.203477
• LogD (pH = 7.4): 4.203477
• Log P: 4.203477
• Molar Refractivity: 62.3821 cm^3
• Polarizability: 23.971128 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.745

Product Information

• Purity: 95%