(1-chloropropyl)benzene

• ChemBase ID: 283098
• Molecular Formular: C9H11Cl
• Molecular Mass: 154.63664
• Monoisotopic Mass: 154.05492803
• SMILES: c1(C(Cl)CC)ccccc1
• Canonical SMILES: CCC(c1ccccc1)Cl
• InChI: InChI=1S/C9H11Cl/c1-2-9(10)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
• InChIKey: MZMVVHAHSRJOEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-chloropropyl)benzene
• IUPAC Traditional name: (1-chloropropyl)benzene
• Synonyms: (1-chloropropyl)benzene

Database IDs

• MDL Number: MFCD00466194
• PubChem SID: 180668629
• PubChem CID: 524241

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4995854
• LogD (pH = 7.4): 3.4995854
• Log P: 3.4995854
• Molar Refractivity: 44.8677 cm^3
• Polarizability: 17.670904 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.762

Product Information

• Purity: 95%