1-(1-chloropropyl)-4-fluorobenzene

• ChemBase ID: 277298
• Molecular Formular: C9H10ClF
• Molecular Mass: 172.6271032
• Monoisotopic Mass: 172.04550622
• SMILES: c1(ccc(cc1)F)C(Cl)CC
• Canonical SMILES: CCC(c1ccc(cc1)F)Cl
• InChI: InChI=1S/C9H10ClF/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
• InChIKey: QKVNOVMCALSEMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-chloropropyl)-4-fluorobenzene
• IUPAC Traditional name: 1-(1-chloropropyl)-4-fluorobenzene
• Synonyms: 1-(1-chloropropyl)-4-fluorobenzene

Database IDs

• MDL Number: MFCD10690353
• PubChem SID: 164333208
• PubChem CID: 43114936

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.6422873
• LogD (pH = 7.4): 3.6422873
• Log P: 3.6422873
• Molar Refractivity: 45.0841 cm^3
• Polarizability: 17.334606 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.905

Product Information

• Purity: 95%