2-(2,3-dichlorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile

• ChemBase ID: 248608
• Molecular Formular: C11H13Cl2NOSi
• Molecular Mass: 274.21852
• Monoisotopic Mass: 273.01434593
• SMILES: c1(C(C#N)O[Si](C)(C)C)c(c(Cl)ccc1)Cl
• Canonical SMILES: N#CC(c1cccc(c1Cl)Cl)O[Si](C)(C)C
• InChI: InChI=1S/C11H13Cl2NOSi/c1-16(2,3)15-10(7-14)8-5-4-6-9(12)11(8)13/h4-6,10H,1-3H3
• InChIKey: JQVRJQQCFYBQJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dichlorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
• IUPAC Traditional name: 2-(2,3-dichlorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile
• Synonyms: 2-(2,3-dichlorophenyl)-2-[(trimethylsilyl)oxy]acetonitrile

Database IDs

• MDL Number: MFCD16786508
• PubChem SID: 164304518
• PubChem CID: 62552294

CALCULATED PROPERTIES

• Log P: 3.9569
• Molar Refractivity: 63.4186 cm^3
• Polarizability: 26.814228 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 13.908802
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9569
• LogD (pH = 7.4): 3.9569

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.486

Product Information

• Purity: 95%