Cas no 343604-40-0 (1-(4-Tert-butylphenyl)-1h-pyrazole-4-carbaldehyde)

1-(4-Tert-butylphenyl)-1h-pyrazole-4-carbaldehyde structure
343604-40-0 structure
Product Name:1-(4-Tert-butylphenyl)-1h-pyrazole-4-carbaldehyde
CAS No:343604-40-0
MF:C14H16N2O
MW:228.289643287659
CID:2111366
Update Time:2023-08-04

1-(4-Tert-butylphenyl)-1h-pyrazole-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1-(4-tert-butylphenyl)-1H-pyrazole-4-carbaldehyde
    • 1-(4-Tert-butylphenyl)-1h-pyrazole-4-carbaldehyde
    • Inchi: 1S/C14H16N2O/c1-14(2,3)12-4-6-13(7-5-12)16-9-11(10-17)8-15-16/h4-10H,1-3H3
    • InChI Key: PLMQOYODRAYHJB-UHFFFAOYSA-N
    • SMILES: O=CC1C=NN(C=1)C1C=CC(=CC=1)C(C)(C)C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 264
  • Topological Polar Surface Area: 34.9
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