Cas no 22479-39-6 (2,2'-(3-Chloro-1,2-phenylene)diacetonitrile)

2,2'-(3-Chloro-1,2-phenylene)diacetonitrile structure
22479-39-6 structure
Product Name:2,2'-(3-Chloro-1,2-phenylene)diacetonitrile
CAS No:22479-39-6
MF:C10H7ClN2
MW:190.628980875015
CID:2113558
Update Time:2023-08-04

2,2'-(3-Chloro-1,2-phenylene)diacetonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-chloro-1,2-Benzenediacetonitrile
    • 2,2'-(3-chloro-1,2-phenylene)diacetonitrile
    • BYBSUQIXXWOKQF-UHFFFAOYSA-N
    • 2,2'-(3-Chloro-1,2-phenylene)diacetonitrile
    • Inchi: 1S/C10H7ClN2/c11-10-3-1-2-8(4-6-12)9(10)5-7-13/h1-3H,4-5H2
    • InChI Key: BYBSUQIXXWOKQF-UHFFFAOYSA-N
    • SMILES: ClC1=CC=CC(CC#N)=C1CC#N

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 257
  • Topological Polar Surface Area: 47.6
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