Cas no 1374652-25-1 (Isoquinoline-7-sulfonyl chloride)

Isoquinoline-7-sulfonyl chloride structure
1374652-25-1 structure
Product Name:Isoquinoline-7-sulfonyl chloride
CAS No:1374652-25-1
MF:C9H6ClNO2S
MW:227.667439937592
CID:2101850
Update Time:2023-08-03

Isoquinoline-7-sulfonyl chloride Chemical and Physical Properties

Names and Identifiers

    • Isoquinoline-7-sulfonyl chloride
    • 7-isoquinolinesulfonyl chloride
    • Inchi: 1S/C9H6ClNO2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-6H
    • InChI Key: JBUVHNKPMYUEQY-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC2C=CN=CC=2C=1)(=O)=O

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 298
  • XLogP3: 2.3
  • Topological Polar Surface Area: 55.4
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