5-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazolidine

• ChemBase ID: 238584
• Molecular Formular: C10H11Cl2NO
• Molecular Mass: 232.10644
• Monoisotopic Mass: 231.02176934
• SMILES: C1(NCC(O1)CCl)c1ccc(cc1)Cl
• Canonical SMILES: ClCC1CNC(O1)c1ccc(cc1)Cl
• InChI: InChI=1S/C10H11Cl2NO/c11-5-9-6-13-10(14-9)7-1-3-8(12)4-2-7/h1-4,9-10,13H,5-6H2
• InChIKey: XJJPFRUMIOXIRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazolidine
• IUPAC Traditional name: 5-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazolidine
• Synonyms: 5-(chloromethyl)-2-(4-chlorophenyl)-1,3-oxazolidine

Database IDs

• MDL Number: MFCD06655165
• PubChem SID: 164294494
• PubChem CID: 3758587

CALCULATED PROPERTIES

• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.95359313
• LogD (pH = 7.4): 2.5933323
• Log P: 2.967274
• Molar Refractivity: 56.9364 cm^3
• Polarizability: 22.889063 Å^3

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.764

Product Information

• Purity: 95%