Cas no 67718-39-2 (1,2,3-Benzotriazin-4(3H)-one,3-(phenylmethoxy)-)

1,2,3-Benzotriazin-4(3H)-one,3-(phenylmethoxy)- structure
67718-39-2 structure
Product Name:1,2,3-Benzotriazin-4(3H)-one,3-(phenylmethoxy)-
CAS No:67718-39-2
MF:C14H11N3O2
MW:253.256042718887
CID:529693
PubChem ID:327414
Update Time:2025-04-19

1,2,3-Benzotriazin-4(3H)-one,3-(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Benzotriazin-4(3H)-one,3-(phenylmethoxy)-
    • 3-phenylmethoxy-1,2,3-benzotriazin-4-one
    • 67718-39-2
    • DTXSID90316344
    • NSC302355
    • 3-(Benzyloxy)-1,2,3-benzotriazin-4(3H)-one
    • NSC-302355
    • Inchi: 1S/C14H11N3O2/c18-14-12-8-4-5-9-13(12)15-16-17(14)19-10-11-6-2-1-3-7-11/h1-9H,10H2
    • InChI Key: JJWFMKJTAYHRHI-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)N1C(C2C=CC=CC=2N=N1)=O

Computed Properties

  • Exact Mass: 253.08523
  • Monoisotopic Mass: 253.085
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 353
  • 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: 2.4
  • Topological Polar Surface Area: 54.3?2

Experimental Properties

  • Density: 1.28
  • Boiling Point: 399.4°Cat760mmHg
  • Flash Point: 195.4°C
  • Refractive Index: 1.65
  • PSA: 54.26

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