Cas no 1246471-36-2 (N-Boc-3-bromo-6-chloroindole)

N-Boc-3-bromo-6-chloroindole structure
N-Boc-3-bromo-6-chloroindole structure
Product Name:N-Boc-3-bromo-6-chloroindole
CAS No:1246471-36-2
MF:C13H13BrClNO2
MW:330.604821920395
MDL:MFCD17169908
CID:1056355
PubChem ID:73012615
Update Time:2025-04-20

N-Boc-3-bromo-6-chloroindole Chemical and Physical Properties

Names and Identifiers

    • N-Boc-3-bromo-6-chloroindole
    • 3-Bromo-6-chloro-1H-indole-1-carboxylic acid tert-butyl ester
    • tert-butyl 3-bromo-6-chloroindole-1-carboxylate
    • K-1819
    • A890412
    • MFCD17169908
    • 1H-Indole-1-carboxylic acid, 3-bromo-6-chloro-, 1,1-dimethylethyl ester
    • 1246471-36-2
    • 1,1-Dimethylethyl 3-bromo-6-chloro-1H-indole-1-carboxylate
    • DTXSID701191235
    • WZB47136
    • AKOS025404079
    • SY009789
    • AMY20594
    • AS-32507
    • CS-0044508
    • SCHEMBL23330476
    • MDL: MFCD17169908
    • Inchi: 1S/C13H13BrClNO2/c1-13(2,3)18-12(17)16-7-10(14)9-5-4-8(15)6-11(9)16/h4-7H,1-3H3
    • InChI Key: BZZPVBVOSNRGHB-UHFFFAOYSA-N
    • SMILES: BrC1=CN(C(=O)OC(C)(C)C)C2C=C(C=CC=21)Cl

Computed Properties

  • Exact Mass: 328.98200
  • Monoisotopic Mass: 328.98182g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 331
  • 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: 4.6
  • Topological Polar Surface Area: 31.2?2

Experimental Properties

  • Color/Form: No data available
  • Density: 1.47
  • Melting Point: No data available
  • Boiling Point: 397.3±45.0 °C at 760 mmHg
  • Flash Point: 194.1±28.7 °C
  • PSA: 31.23000
  • LogP: 4.84040

N-Boc-3-bromo-6-chloroindole Pricemore >>

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