Cas no 106102-24-3 (Propanenitrile, 3-[(6-bromo-2-naphthalenyl)oxy]-)

Propanenitrile, 3-[(6-bromo-2-naphthalenyl)oxy]- structure
106102-24-3 structure
Product Name:Propanenitrile, 3-[(6-bromo-2-naphthalenyl)oxy]-
CAS No:106102-24-3
MF:C13H10BrNO
MW:276.12860250473
CID:97357
PubChem ID:13599917
Update Time:2025-04-18

Propanenitrile, 3-[(6-bromo-2-naphthalenyl)oxy]- Chemical and Physical Properties

Names and Identifiers

    • Propanenitrile, 3-[(6-bromo-2-naphthalenyl)oxy]-
    • 3-(6-bromonaphthalen-2-yl)oxypropanenitrile
    • 3-(6-Brom-[2]naphthyloxy)-propionitril
    • 3-(6-Brom-naphthyl-(2)-oxy)-propionsaeure-nitril
    • 3-(6-bromo-[2]naphthyloxy)-propionitrile
    • ACMC-20m9m3
    • AGN-PC-00N8J2
    • CTK0G3910
    • DTXSID20544734
    • 106102-24-3
    • AKOS000183325
    • 3-[(6-Bromonaphthalen-2-yl)oxy]propanenitrile
    • Inchi: 1S/C13H10BrNO/c14-12-4-2-11-9-13(16-7-1-6-15)5-3-10(11)8-12/h2-5,8-9H,1,7H2
    • InChI Key: MINQRGRBMIQHAT-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2C=C(C=CC=2C=1)OCCC#N

Computed Properties

  • Exact Mass: 274.9946
  • Monoisotopic Mass: 274.99458g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 272
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.5
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • PSA: 33.02
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