O-[(2-bromo-6-nitrophenyl)methyl]-1-tert-butyl-1,1-dimethylsilanolate

• ChemBase ID: 65806
• Molecular Formular: C13H20BrNO3Si-
• Molecular Mass: 346.2923
• Monoisotopic Mass: 345.03958204
• SMILES: c1ccc(c(c1Br)C[O-][Si](C)(C(C)(C)C)C)[N+](=O)[O-]
• Canonical SMILES: Brc1cccc(c1C[O-][Si](C(C)(C)C)(C)C)[N+](=O)[O-]
• InChI: InChI=1S/C13H20BrNO3Si/c1-13(2,3)19(4,5)18-9-10-11(14)7-6-8-12(10)15(16)17/h6-8H,9H2,1-5H3/q-1
• InChIKey: WWNSUAODTMSSNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: O-[(2-bromo-6-nitrophenyl)methyl]-1-tert-butyl-1,1-dimethylsilanolate
• IUPAC Traditional name: O-[(2-bromo-6-nitrophenyl)methyl]-1-tert-butyl-1,1-dimethylsilanolate
• Synonyms: (2-Bromo-6-nitrobenzyloxy)(tert-butyl)dimethylsilane

Database IDs

• CAS Number: 1147531-02-9
• MDL Number: MFCD22199274
• PubChem SID: 162031545
• PubChem CID: 0

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• Molar Refractivity: 77.6695 cm^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%