4-(chloromethyl)-2-(4-chlorophenyl)-1,3-dioxolane

• ChemBase ID: 244813
• Molecular Formular: C10H10Cl2O2
• Molecular Mass: 233.0912
• Monoisotopic Mass: 232.00578492
• SMILES: C1(OC(CO1)CCl)c1ccc(cc1)Cl
• Canonical SMILES: ClCC1COC(O1)c1ccc(cc1)Cl
• InChI: InChI=1S/C10H10Cl2O2/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,9-10H,5-6H2
• InChIKey: PWUSSDSFKIJXBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-dioxolane
• IUPAC Traditional name: 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-dioxolane
• Synonyms: 4-(chloromethyl)-2-(4-chlorophenyl)-1,3-dioxolane

Database IDs

• MDL Number: MFCD01462486
• PubChem SID: 164300723
• PubChem CID: 237901

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2847018
• LogD (pH = 7.4): 3.2847018
• Log P: 3.2847018
• Molar Refractivity: 55.2555 cm^3
• Polarizability: 22.092485 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.905

Product Information

• Purity: 95%