Cas no 400877-59-0 (Ethyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate)

Ethyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate structure
400877-59-0 structure
Product Name:Ethyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
CAS No:400877-59-0
MF:C8H11BrN2O2
MW:247.089141130447
CID:2857527
Update Time:2023-08-09

Ethyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate
    • ethyl 4-bromo-1-ethylpyrazole-3-carboxylate
    • Inchi: 1S/C8H11BrN2O2/c1-3-11-5-6(9)7(10-11)8(12)13-4-2/h5H,3-4H2,1-2H3
    • InChI Key: KSDYLTZGONAJPW-UHFFFAOYSA-N
    • SMILES: BrC1=CN(CC)N=C1C(=O)OCC

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 189
  • XLogP3: 1.8
  • Topological Polar Surface Area: 44.1

Ethyl 4-bromo-1-ethyl-1H-pyrazole-3-carboxylate Pricemore >>

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