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CS-W001157 4
Total: USD 88.00

(E)-3-(5-fluoro-3-methyl-1H-indol-7-yl)acrylic acid

  • CAS No. 882999-50-0

  • Cat. No. CS-0489566
  • Purity≥98%
  • MDL No.MFCD16038690

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

(E)-3-(5-fluoro-3-methyl-1H-indol-7-yl)acrylic acid|CS-0489566

Structure of 882999-50-0

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General Information

  • CAS No. 882999-50-0
  • Cat. No. CS-0489566
  • Purity ≥98%
  • MDL No. MFCD16038690
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₀FNO₂
  • Molecular Weight 219.21
  • Synonym(s) (2E)-3-(5-Fluoro-3-methyl-1H-indol-7-YL)-2-propenoic acid
  • SMILES CC1=CNC2=C(\C=C\C(O)=O)C=C(F)C=C12

Synthesis

  • Route1
    • null|null
      946197-48-4
    • null|null
      79-10-7
    • ~88%
    • (E)-3-(5-fluoro-3-methyl-1H-indol-7-yl)acrylic acid|CS-0489566
      882999-50-0

    References

    • DECODE GENETICS EHF Patent: WO2007/137040 A2, 2007 ; Location in patent: Page/Page column 19-20 ;
  • Route2
    • null|null
      882999-49-7
    • ~89%
    • (E)-3-(5-fluoro-3-methyl-1H-indol-7-yl)acrylic acid|CS-0489566
      882999-50-0

    References

    • DECODE GENETICS EHF Patent: WO2007/137040 A2, 2007 ; Location in patent: Page/Page column 23 ;
  • Route3
    • 7-Bromo-5-fluoro-3-methyl-1h-indole|CS-0172187
      883001-24-9
    • null|null
      79-10-7
    • ~%
    • (E)-3-(5-fluoro-3-methyl-1H-indol-7-yl)acrylic acid|CS-0489566
      882999-50-0

    References

    • DECODE GENETICS, EHF. Patent: US2007/270594 A1, 2007 ; Location in patent: Page/Page column 9 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.71322
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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