Cas no 139888-34-9 (2,5-Pyrazinedicarboxamide, 3-chloro-)

2,5-Pyrazinedicarboxamide, 3-chloro- structure
139888-34-9 structure
Product Name:2,5-Pyrazinedicarboxamide, 3-chloro-
CAS No:139888-34-9
MF:C6H5ClN4O2
MW:200.582499265671
CID:1284038
PubChem ID:15134062
Update Time:2025-04-20

2,5-Pyrazinedicarboxamide, 3-chloro- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Pyrazinedicarboxamide, 3-chloro-
    • 3-chloropyrazine-2,5-dicarboxamide
    • DTXSID20568773
    • 139888-34-9
    • Inchi： 1S/C6H5ClN4O2/c7-4-3(6(9)13)10-1-2(11-4)5(8)12/h1H,(H2,8,12)(H2,9,13)
    • InChI Key： NUZJLESALBNNEI-UHFFFAOYSA-N
    • SMILES： ClC1C(C(N)=O)=NC=C(C(N)=O)N=1

Computed Properties

  • Exact Mass: 200.01025
  • Monoisotopic Mass: 200.0101031g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 235
  • 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: -0.8
  • Topological Polar Surface Area: 112?2

Experimental Properties

  • PSA: 111.96

2,5-Pyrazinedicarboxamide, 3-chloro- Related Literature

139888-34-9 (2,5-Pyrazinedicarboxamide, 3-chloro-) Related Products

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