4-bromo-1-[tris(propan-2-yl)silyl]-1H-indole

• ChemBase ID: 101227
• Molecular Formular: C17H26BrNSi
• Molecular Mass: 352.38454
• Monoisotopic Mass: 351.10178837
• SMILES: n1(c2c(cc1)c(Br)ccc2)[Si](C(C)C)(C(C)C)C(C)C
• Canonical SMILES: CC([Si](n1ccc2c1cccc2Br)(C(C)C)C(C)C)C
• InChI: InChI=1S/C17H26BrNSi/c1-12(2)20(13(3)4,14(5)6)19-11-10-15-16(18)8-7-9-17(15)19/h7-14H,1-6H3
• InChIKey: ZXHMUQVMGJYGAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-1-[tris(propan-2-yl)silyl]-1H-indole
• IUPAC Traditional name: 4-bromo-1-(triisopropylsilyl)indole
• Synonyms: 4-bromo-1-(triisopropylsilyl)-1H-indole

Database IDs

• CAS Number: 412048-44-3
• MDL Number: MFCD05664418
• PubChem SID: 162087506
• PubChem CID: 2795573

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1693
• LogD (pH = 7.4): 6.1693
• Log P: 6.1693
• Molar Refractivity: 90.0537 cm^3
• Polarizability: 37.68435 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%