Cas no 914349-28-3 (1-Boc-5-Benzyloxy-3-bromoindole)

1-Boc-5-Benzyloxy-3-bromoindole structure
914349-28-3 structure
Product Name:1-Boc-5-Benzyloxy-3-bromoindole
CAS No:914349-28-3
MF:C20H20BrNO3
MW:402.281704902649
MDL:MFCD05864770
CID:827129
PubChem ID:40428554
Update Time:2025-04-19

1-Boc-5-Benzyloxy-3-bromoindole Chemical and Physical Properties

Names and Identifiers

    • 1-Boc-5-Benzyloxy-3-bromoindole
    • tert-butyl 3-bromo-5-phenylmethoxyindole-1-carboxylate
    • 5-Benzyloxy-3-bromoindole, N-BOC protected
    • tert-butyl 5-benzyloxy-3-bromoindole-carboxylate
    • PS-10997
    • CS-0362696
    • NHBAORGFRKXFIJ-UHFFFAOYSA-N
    • AKOS016006265
    • SCHEMBL1958918
    • 5-(Benzyloxy)-3-bromo-1H-indole, N-BOC protected
    • 914349-28-3
    • FT-0718004
    • C20H20BrNO3
    • 5-(Benzyloxy)-3-bromo-1H-indole, N-BOC protected 98%
    • tert-Butyl 5-(benzyloxy)-3-bromo-1H-indole-1-carboxylate
    • DTXSID70654337
    • DB-079038
    • MDL: MFCD05864770
    • Inchi: 1S/C20H20BrNO3/c1-20(2,3)25-19(23)22-12-17(21)16-11-15(9-10-18(16)22)24-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
    • InChI Key: NHBAORGFRKXFIJ-UHFFFAOYSA-N
    • SMILES: BrC1=CN(C(=O)OC(C)(C)C)C2C=CC(=CC=21)OCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 401.06266g/mol
  • Monoisotopic Mass: 401.06266g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 6
  • Complexity: 458
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.4
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 501.3±58.0 °C at 760 mmHg
  • Flash Point: 257.0±32.3 °C
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

1-Boc-5-Benzyloxy-3-bromoindole Security Information

1-Boc-5-Benzyloxy-3-bromoindole Pricemore >>

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