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tert-Butyl 5,7-dichloro-6-(((trifluoromethyl)sulfonyl)oxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate

  • CAS No. 851784-78-6

  • Cat. No. CS-0044322
  • Molecule weight450.26
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 5,7-dichloro-6-(((trifluoromethyl)sulfonyl)oxy)-3,4-dihydroisoquinoline-2(1H)-carboxylate|CS-0044322

Structure of 851784-78-6

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General Information

  • CAS No. 851784-78-6
  • Cat. No. CS-0044322
  • Purity ≥98%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₆Cl₂F₃NO₅S
  • Molecular Weight 450.26
  • Synonym(s) 2(1H)-Isoquinolinecarboxylic acid, 5,7-dichloro-3,4-dihydro-6-[[(trifluoromethyl)sulfonyl]oxy]-, 1,1-dimethylethyl ester
  • SMILES ClC1=CC2=C(C(Cl)=C1OS(C(F)(F)F)(=O)=O)CCN(C(OC(C)(C)C)=O)C2

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   72.91
  • LogP   4.515
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   2

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