1-(tert-butyldimethylsilyl)-4-chloro-1H-indole

• ChemBase ID: 64171
• Molecular Formular: C14H20ClNSi
• Molecular Mass: 265.8538
• Monoisotopic Mass: 265.10535386
• SMILES: n1(c2c(cc1)c(Cl)ccc2)[Si](C(C)(C)C)(C)C
• Canonical SMILES: Clc1cccc2c1ccn2[Si](C(C)(C)C)(C)C
• InChI: InChI=1S/C14H20ClNSi/c1-14(2,3)17(4,5)16-10-9-11-12(15)7-6-8-13(11)16/h6-10H,1-5H3
• InChIKey: PDPSXASABIORPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(tert-butyldimethylsilyl)-4-chloro-1H-indole
• IUPAC Traditional name: 1-(tert-butyldimethylsilyl)-4-chloroindole
• Synonyms: 4-Chloro-N-(tert-butyldimethylsilyl)indole

Database IDs

• CAS Number: 412048-45-4
• MDL Number: MFCD07787398
• PubChem SID: 162029910
• PubChem CID: 16427096

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.5681
• LogD (pH = 7.4): 4.5681
• Log P: 4.5681
• Molar Refractivity: 73.6225 cm^3
• Polarizability: 31.418295 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 98%