Cas no 1557780-95-6 (tert-Butyl 6-chloro-3-iodo-1H-indole-1-carboxylate)

tert-Butyl 6-chloro-3-iodo-1H-indole-1-carboxylate structure
1557780-95-6 structure
Product Name:tert-Butyl 6-chloro-3-iodo-1H-indole-1-carboxylate
CAS No:1557780-95-6
MF:C13H13ClINO2
MW:377.605294942856
MDL:MFCD21608455
CID:2093499
PubChem ID:70701102
Update Time:2025-04-21

tert-Butyl 6-chloro-3-iodo-1H-indole-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • tert-Butyl 6-chloro-3-iodo-1H-indole-1-carboxylate
    • DTXSID60743880
    • AKOS016007704
    • F18385
    • 1-Boc-6-chloro-3-iodo-1H-indole
    • tert-Butyl6-chloro-3-iodo-1H-indole-1-carboxylate
    • AS-72674
    • 1557780-95-6
    • tert-butyl 6-chloro-3-iodoindole-1-carboxylate
    • CS-0047284
    • MFCD21608455
    • 1H-Indole-1-carboxylic acid, 6-chloro-3-iodo-, 1,1-dimethylethyl ester
    • MDL: MFCD21608455
    • Inchi: 1S/C13H13ClINO2/c1-13(2,3)18-12(17)16-7-10(15)9-5-4-8(14)6-11(9)16/h4-7H,1-3H3
    • InChI Key: RMNYTKCIIXURNG-UHFFFAOYSA-N
    • SMILES: IC1=CN(C(=O)OC(C)(C)C)C2C=C(C=CC=21)Cl

Computed Properties

  • Exact Mass: 376.96795g/mol
  • Monoisotopic Mass: 376.96795g/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: 4.5
  • Topological Polar Surface Area: 31.2?2

tert-Butyl 6-chloro-3-iodo-1H-indole-1-carboxylate Pricemore >>

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