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CS-W001157 4
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2-(4-Methoxyphenyl)-1H-benzo[d]imidazole-6-carboxylic acid

  • CAS No. 174422-17-4

  • Cat. No. CS-0535287
  • Purity≥98%
  • MDL No.None

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

2-(4-Methoxyphenyl)-1H-benzo[d]imidazole-6-carboxylic acid|CS-0535287

Structure of 174422-17-4

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General Information

  • CAS No. 174422-17-4
  • Cat. No. CS-0535287
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₂N₂O₃
  • Molecular Weight 268.27
  • Synonym(s) 2-(4-Methoxyphenyl)-1H-benzo[D]imidazole-5-carboxylic acid
  • SMILES COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)O

Synthesis

  • Route1

    References

    • Maiti, Dilip K.; Halder, Samiran; Pandit, Palash; Chatterjee, Nirbhik; De Joarder, Dripta; Pramanik, Nabyendu; Saima, Yasmin; Patra, Amarendra; Maiti, Prabir K. Journal of Organic Chemistry, 2009 , vol. 74, # 21 p. 8086 - 8097
  • Route2

    References

    • Yang, Donglai; Fokas, Demosthenes; Li, Jingzhou; Yu, Libing; Baldino, Carmen M. Synthesis, 2005 , # 1 art. no. M02904SS, p. 47 - 56
  • Route3

    References

    • Qi, Yunkun; Ma, Ruixin; Li, Xin; Hu, Yue; Ma, Siti; Cong, Chao; Ma, Xiaodong; Cui, Wenping; Ma, Shutao Letters in Drug Design and Discovery, 2011 , vol. 8, # 10 p. 966 - 971

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   75.21
  • LogP   2.9367
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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