2-(4-bromophenyl)-2-methyl-1,3-dioxolane

• ChemBase ID: 162727
• Molecular Formular: C10H11BrO2
• Molecular Mass: 243.09714
• Monoisotopic Mass: 241.99424159
• SMILES: c1c(ccc(c1)C1(OCCO1)C)Br
• Canonical SMILES: CC1(OCCO1)c1ccc(cc1)Br
• InChI: InChI=1S/C10H11BrO2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3
• InChIKey: GFOGBVQXIQGBKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenyl)-2-methyl-1,3-dioxolane
• IUPAC Traditional name: 2-(4-bromophenyl)-2-methyl-1,3-dioxolane
• Synonyms: 4'-Bromoacetophenone Ethylene Ketal; 2-(p-Bromophenyl)-2-methyl-1,3-dioxolane; 2-(4-Bromophenyl)-2-methyl-1,3-dioxolane; 2-Methyl-2-(4-bromophenyl)-1,3-dioxolane; 4'-Bromoacetophenone Ethylene Acetal

Database IDs

• CAS Number: 4360-68-3
• PubChem SID: 162256862
• PubChem CID: 614920

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9732156
• LogD (pH = 7.4): 2.9732156
• Log P: 2.9732156
• Molar Refractivity: 54.0818 cm^3
• Polarizability: 21.159832 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform; Dichloromethane; Dimethyl Sulfoxide; Ethyl Acetate
• Apperance: White Solid