Cas no 69352-98-3 (2-bromobicyclo[2.2.2]octane-2-carboxamide)

2-bromobicyclo[2.2.2]octane-2-carboxamide structure
69352-98-3 structure
Product Name:2-bromobicyclo[2.2.2]octane-2-carboxamide
CAS No:69352-98-3
MF:C9H14BrNO
MW:232.117561817169
CID:1735817
PubChem ID:50397
Update Time:2025-04-21

2-bromobicyclo[2.2.2]octane-2-carboxamide Chemical and Physical Properties

Names and Identifiers

    • 2-bromobicyclo[2.2.2]octane-2-carboxamide
    • 3-bromobicyclo[2.2.2]octane-3-carboxamide
    • BRN 2640917
    • BICYCLO(2.2.2)OCTANE-2-CARBOXAMIDE, 2-BROMO-
    • 2-Bromobicyclo[2.2.2]octane-2-carboximidic acid
    • 69352-98-3
    • 2-Bromobicyclo(2.2.2)octane-2-carboxamide
    • DTXSID30989091
    • Inchi: 1S/C9H14BrNO/c10-9(8(11)12)5-6-1-3-7(9)4-2-6/h6-7H,1-5H2,(H2,11,12)
    • InChI Key: NBFJANDWLIQMMD-UHFFFAOYSA-N
    • SMILES: BrC1(C(N)=O)CC2CCC1CC2

Computed Properties

  • Exact Mass: 231.02592
  • Monoisotopic Mass: 231.026
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 211
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.1A^2
  • XLogP3: 2

Experimental Properties

  • Density: 1.505
  • Boiling Point: 355.9°C at 760 mmHg
  • Flash Point: 169°C
  • Refractive Index: 1.572
  • PSA: 43.09
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