1-[chloro(2-chlorophenyl)benzyl]-4-methylbenzene

• ChemBase ID: 303782
• Molecular Formular: C20H16Cl2
• Molecular Mass: 327.24704
• Monoisotopic Mass: 326.06290587
• SMILES: Cc1ccc(cc1)C(c1ccccc1)(c1ccccc1Cl)Cl
• Canonical SMILES: Cc1ccc(cc1)C(c1ccccc1Cl)(c1ccccc1)Cl
• InChI: InChI=1S/C20H16Cl2/c1-15-11-13-17(14-12-15)20(22,16-7-3-2-4-8-16)18-9-5-6-10-19(18)21/h2-14H,1H3
• InChIKey: FCMFEPCCEAMQNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[chloro(2-chlorophenyl)benzyl]-4-methylbenzene
• IUPAC Traditional name: 1-[chloro(2-chlorophenyl)benzyl]-4-methylbenzene
• Synonyms: 2-Chlorotrityl chloride on polystyrene; 2-氯三苯甲基氯键合于聚苯乙烯

Database IDs

• CAS Number: 42074-68-0
• MDL Number: MFCD00040399

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.110436
• LogD (pH = 7.4): 7.110436
• Log P: 7.110436
• Molar Refractivity: 96.2085 cm^3
• Polarizability: 36.813637 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 1% cross-linked, 100-200 mesh, 1.0-1.4 mmol/g