Cas no 857398-45-9 (2-Chloro-5,6,7,8-tetrahydropteridine)

2-Chloro-5,6,7,8-tetrahydropteridine structure
857398-45-9 structure
Product Name:2-Chloro-5,6,7,8-tetrahydropteridine
CAS No:857398-45-9
MF:C6H7ClN4
MW:170.59957909584
CID:2196779
Update Time:2023-08-07

2-Chloro-5,6,7,8-tetrahydropteridine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-5,6,7,8-tetrahydropteridine
    • C6H7ClN4
    • Y6431
    • Inchi: 1S/C6H7ClN4/c7-6-10-3-4-5(11-6)9-2-1-8-4/h3,8H,1-2H2,(H,9,10,11)
    • InChI Key: LWLUIZIVRIGGSZ-UHFFFAOYSA-N
    • SMILES: ClC1N=CC2=C(N=1)NCCN2

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 143
  • Topological Polar Surface Area: 49.8
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