Cas no 1171129-05-7 (Methyl 2-Chloro-1H-1,3-benzodiazole-7-carboxylate)

Methyl 2-Chloro-1H-1,3-benzodiazole-7-carboxylate structure
1171129-05-7 structure
Product Name:Methyl 2-Chloro-1H-1,3-benzodiazole-7-carboxylate
CAS No:1171129-05-7
MF:C9H7ClN2O2
MW:210.617080926895
MDL:MFCD22562505
CID:4574735
PubChem ID:68407476
Update Time:2023-11-22

Methyl 2-Chloro-1H-1,3-benzodiazole-7-carboxylate Chemical and Physical Properties

Names and Identifiers

    • methyl 2-chloro-1H-benzimidazole-4-carboxylate
    • Methyl 2-chloro-1H-benzo[d]imidazole-4-carboxylate
    • methyl 2-chloro-1H-1,3-benzodiazole-7-carboxylate
    • Methyl 2-chloro-1H-benzo[d]imidazole-7-carboxylate
    • 1H-Benzimidazole-7-carboxylic acid, 2-chloro-, methyl ester
    • Methyl 2-chloro-1H-benzimidazole-7-carboxylate
    • 1h-benzimidazole-7-carboxylic acid,2-chloro-,methyl ester
    • Methyl 2-Chloro-1H-1,3-benzodiazole-7-carboxylate
    • MDL: MFCD22562505
    • Inchi: 1S/C9H7ClN2O2/c1-14-8(13)5-3-2-4-6-7(5)12-9(10)11-6/h2-4H,1H3,(H,11,12)
    • InChI Key: ILEUCNCKSCQHGO-UHFFFAOYSA-N
    • SMILES: ClC1=NC2C(C(=O)OC)=CC=CC=2N1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 237
  • XLogP3: 2.3
  • Topological Polar Surface Area: 55

Methyl 2-Chloro-1H-1,3-benzodiazole-7-carboxylate Pricemore >>

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