Cas no 108625-05-4 (9H-Carbazole, dinitro-(9CI))

9H-Carbazole, dinitro-(9CI) structure
9H-Carbazole, dinitro-(9CI) structure
Product Name:9H-Carbazole, dinitro-(9CI)
CAS No:108625-05-4
MF:C12H7N3O4
MW:257.201682329178
CID:165198
PubChem ID:620850
Update Time:2025-04-19

9H-Carbazole, dinitro-(9CI) Chemical and Physical Properties

Names and Identifiers

    • 9H-Carbazole, dinitro-(9CI)
    • 1,6-Dinitrocarbazole
    • 1,6-Dinitro-9H-carbazole #
    • Q63409623
    • DTXSID901031243
    • Oprea1_767912
    • CBDivE_013559
    • MEFATMTVUAOEJH-UHFFFAOYSA-N
    • 1,6-Dinitro-9H-carbazole
    • 108625-05-4
    • 9H-Carbazole, 1,6-dinitro-
    • 1,6-Dinitro-carbazole
    • CK8KWA43KL
    • AKOS000631678
    • CCRIS 6771
    • SCHEMBL16048965
    • Oprea1_664715
    • 3062-57-5
    • Inchi: 1S/C12H7N3O4/c16-14(17)7-4-5-10-9(6-7)8-2-1-3-11(15(18)19)12(8)13-10/h1-6,13H
    • InChI Key: MEFATMTVUAOEJH-UHFFFAOYSA-N
    • SMILES: [O-][N+](C1=CC=CC2=C1NC1C=CC(=CC2=1)[N+](=O)[O-])=O

Computed Properties

  • Exact Mass: 256.03588
  • Monoisotopic Mass: 257.04365571g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 391
  • 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
  • Topological Polar Surface Area: 107?2

Experimental Properties

  • PSA: 99.17
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