Cas no 1548278-74-5 (4-(1H-Indol-3-yl)butanoyl chloride)

4-(1H-Indol-3-yl)butanoyl chloride structure
1548278-74-5 structure
Product Name:4-(1H-Indol-3-yl)butanoyl chloride
CAS No:1548278-74-5
MF:C12H12ClNO
MW:221.682782173157
CID:4701781
Update Time:2023-08-15

4-(1H-Indol-3-yl)butanoyl chloride Chemical and Physical Properties

Names and Identifiers

    • 4-(1H-Indol-3-yl)butanoyl chloride
    • Inchi: 1S/C12H12ClNO/c13-12(15)7-3-4-9-8-14-11-6-2-1-5-10(9)11/h1-2,5-6,8,14H,3-4,7H2
    • InChI Key: OTJPXBUDOVVTTR-UHFFFAOYSA-N
    • SMILES: ClC(CCCC1=CNC2C=CC=CC1=2)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 232
  • XLogP3: 3.3
  • Topological Polar Surface Area: 32.9
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