Cas no 88847-12-5 (9H-Carbazole, 1,3,6,7-tetranitro-)
88847-12-5 structure
Product Name:9H-Carbazole, 1,3,6,7-tetranitro-
CAS No:88847-12-5
MF:C12H5N5O8
MW:347.196801900864
CID:620736
PubChem ID:71320375
Update Time:2025-04-19
9H-Carbazole, 1,3,6,7-tetranitro- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Carbazole, 1,3,6,7-tetranitro-
- 1,3,6,7-tetranitro-9H-carbazole
- 88847-12-5
- DTXSID10750322
-
- Inchi： 1S/C12H5N5O8/c18-14(19)5-1-7-6-3-9(15(20)21)10(16(22)23)4-8(6)13-12(7)11(2-5)17(24)25/h1-4,13H
- InChI Key： GZHUCNMUMSQIRI-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC(=CC2=C1NC1C=C(C(=CC2=1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 347.01381213g/mol
- Monoisotopic Mass: 347.01381213g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 25
- Rotatable Bond Count: 0
- Complexity: 607
- 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: 2.7
- Topological Polar Surface Area: 199?2
9H-Carbazole, 1,3,6,7-tetranitro- Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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