Cas no 1152852-83-9 (1-(5-Bromo-1H-indol-3-YL)-2,2-dimethylpropan-1-one)

1-(5-Bromo-1H-indol-3-YL)-2,2-dimethylpropan-1-one structure
1152852-83-9 structure
Product Name:1-(5-Bromo-1H-indol-3-YL)-2,2-dimethylpropan-1-one
CAS No:1152852-83-9
MF:C13H14BrNO
MW:280.16036272049
CID:2101568
Update Time:2023-08-03

1-(5-Bromo-1H-indol-3-YL)-2,2-dimethylpropan-1-one Chemical and Physical Properties

Names and Identifiers

    • 1-(5-BROMO-1H-INDOL-3-YL)-2,2-DIMETHYLPROPAN-1-ONE
    • 1-(5-Bromo-1H-indol-3-YL)-2,2-dimethylpropan-1-one
    • Inchi: 1S/C13H14BrNO/c1-13(2,3)12(16)10-7-15-11-5-4-8(14)6-9(10)11/h4-7,15H,1-3H3
    • InChI Key: RYGHDFRYQOITKA-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=1)C(=CN2)C(C(C)(C)C)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 284
  • XLogP3: 4.4
  • Topological Polar Surface Area: 32.9
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