Cas no 956006-91-0 (2-(4-Cyclopropylbenzyl)-4-bromobenzonitrile)

2-(4-Cyclopropylbenzyl)-4-bromobenzonitrile structure
956006-91-0 structure
Product Name:2-(4-Cyclopropylbenzyl)-4-bromobenzonitrile
CAS No:956006-91-0
MF:C17H14BrN
MW:312.203763484955
CID:2133784
Update Time:2023-08-04

2-(4-Cyclopropylbenzyl)-4-bromobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(4-cyclopropylbenzyl)-4-bromobenzonitrile
    • 2-(4-Cyclopropylbenzyl)-4-bromobenzonitrile
    • Inchi: 1S/C17H14BrN/c18-17-8-7-15(11-19)16(10-17)9-12-1-3-13(4-2-12)14-5-6-14/h1-4,7-8,10,14H,5-6,9H2
    • InChI Key: KJDBEDRUJUZJBM-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C#N)=C(C=1)CC1C=CC(=CC=1)C1CC1

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 346
  • Topological Polar Surface Area: 23.8
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