[2-(2-bromo-6-nitrophenyl)ethoxy](tert-butyl)dimethylsilane

• ChemBase ID: 65802
• Molecular Formular: C14H22BrNO3Si
• Molecular Mass: 360.31888
• Monoisotopic Mass: 359.0552321
• SMILES: c1cc(c(c(c1)Br)CCO[Si](C)(C)C(C)(C)C)[N+](=O)[O-]
• Canonical SMILES: Brc1cccc(c1CCO[Si](C(C)(C)C)(C)C)[N+](=O)[O-]
• InChI: InChI=1S/C14H22BrNO3Si/c1-14(2,3)20(4,5)19-10-9-11-12(15)7-6-8-13(11)16(17)18/h6-8H,9-10H2,1-5H3
• InChIKey: DGEQRGHOYGSUFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-bromo-6-nitrophenyl)ethoxy](tert-butyl)dimethylsilane
• IUPAC Traditional name: [2-(2-bromo-6-nitrophenyl)ethoxy](tert-butyl)dimethylsilane
• Synonyms: (2-Bromo-6-nitrophenethoxy)-(tert-butyl)dimethylsilane

Database IDs

• CAS Number: 1227958-15-7
• MDL Number: MFCD22199272
• PubChem SID: 162031541
• PubChem CID: 71299186

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.0719
• LogD (pH = 7.4): 5.0719
• Log P: 5.0719
• Molar Refractivity: 82.4245 cm^3
• Polarizability: 33.293316 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%