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3-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

  • CAS No. 1204475-64-8

  • Cat. No. CS-0004081
  • Purity≥98%
  • MDL No.None

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

3-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid|CS-0004081

Structure of 1204475-64-8

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General Information

  • CAS No. 1204475-64-8
  • Cat. No. CS-0004081
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClN₂O₂
  • Molecular Weight 196.59
  • Synonym(s) WYZLJZKORASCKL-UHFFFAOYSA-N
  • SMILES O=C(O)C1=C(Cl)C2=CC=CN=C2N1

Synthesis

  • Route1

    References

    • IRONWOOD PHARMACEUTICALS INCORPORATED; LUDRIGAN, Regina; JEFFREY, John; MERMERIAN, Ara Patent: WO2010/5528 A2, 2010 ; Location in patent: Page/Page column 87 ;

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   65.98
  • LogP   1.9145
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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