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CS-W001157 4
Total: USD 88.00

2-((2-Fluoro-6-nitrophenyl)thio)acetic acid

  • CAS No. 1247021-61-9

  • Cat. No. CS-0334757
  • Molecule weight231.20
  • Purity95+%
  • MDL No.None

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

2-((2-Fluoro-6-nitrophenyl)thio)acetic acid|CS-0334757

Structure of 1247021-61-9

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General Information

  • CAS No. 1247021-61-9
  • Cat. No. CS-0334757
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆FNO₄S
  • Molecular Weight 231.20
  • Synonym(s) 2-[(2-Fluoro-6-nitrophenyl)sulfanyl]acetic acid
  • SMILES C1=CC(=C(C(=C1)[N+](=O)[O-])SCC(=O)O)F

Synthesis

  • Route1

    References

    • PFIZER INC.; CAMERON, Kimberly O'Keefe; KRAUSS, Achim Hans-Peter; LEFKER, Bruce Allen; NAIR, Sajiv Krishnan; PRASANNA, Ganesh; RUI, Eugene Yuanjin Patent: WO2010/116270 A1, 2010 ; Location in patent: Page/Page column 39-40 ; WO 2010/116270 A1

Safety Information

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

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.9106
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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