Cas no 19134-12-4 (1H-Indole, 2,3-dihydro-5,6-dinitro-)
19134-12-4 structure
Product Name:1H-Indole, 2,3-dihydro-5,6-dinitro-
CAS No:19134-12-4
MF:C8H7N3O4
MW:209.158881425858
CID:1384918
PubChem ID:4097059
Update Time:2025-04-20
1H-Indole, 2,3-dihydro-5,6-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 2,3-dihydro-5,6-dinitro-
- 5,6-dinitro-2,3-dihydro-1H-indole
- DTXSID30399277
- AKOS001707822
- SR-01000089839-1
- Oprea1_635721
- SR-01000089839
- 5,6-dinitroindoline
- 19134-12-4
-
- Inchi： 1S/C8H7N3O4/c12-10(13)7-3-5-1-2-9-6(5)4-8(7)11(14)15/h3-4,9H,1-2H2
- InChI Key： KJSAXIDCWCFPSX-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C(=CC2=C(C=1)CCN2)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 209.04365571g/mol
- Monoisotopic Mass: 209.04365571g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 285
- 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: 1.6
- Topological Polar Surface Area: 104?2
1H-Indole, 2,3-dihydro-5,6-dinitro- Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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