Cas no 1379355-95-9 (4-Bromoquinoline-2-carbonitrile)

4-Bromoquinoline-2-carbonitrile structure
1379355-95-9 structure
Product Name:4-Bromoquinoline-2-carbonitrile
CAS No:1379355-95-9
MF:C10H5BrN2
MW:233.064100980759
CID:2194510
Update Time:2023-08-07

4-Bromoquinoline-2-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Bromoquinoline-2-carbonitrile
    • Inchi: 1S/C10H5BrN2/c11-9-5-7(6-12)13-10-4-2-1-3-8(9)10/h1-5H
    • InChI Key: IHDYGNXQJMQIBI-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C#N)N=C2C=CC=CC2=1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 232
  • Topological Polar Surface Area: 36.7
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