Cas no 89837-59-2 (1H-Perimidin-2(3H)-one, 6,7-dinitro-)
89837-59-2 structure
Product Name:1H-Perimidin-2(3H)-one, 6,7-dinitro-
CAS No:89837-59-2
MF:C11H6N4O5
MW:274.189141750336
CID:587667
PubChem ID:71326451
Update Time:2025-04-19
1H-Perimidin-2(3H)-one, 6,7-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Perimidin-2(3H)-one, 6,7-dinitro-
- 6,7-dinitro-1,3-dihydroperimidin-2-one
- DTXSID00755649
- 89837-59-2
- 6,7-Dinitro-1H-perimidin-2(3H)-one
-
- Inchi: 1S/C11H6N4O5/c16-11-12-5-1-3-7(14(17)18)10-8(15(19)20)4-2-6(13-11)9(5)10/h1-4H,(H2,12,13,16)
- InChI Key: FYLKCEOJVATLSP-UHFFFAOYSA-N
- SMILES: O=C1NC2C=CC(=C3C(=CC=C(C3=2)N1)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 274.03381930g/mol
- Monoisotopic Mass: 274.03381930g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 421
- 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: 1.5
- Topological Polar Surface Area: 133?2
1H-Perimidin-2(3H)-one, 6,7-dinitro- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jason Wan Lab Chip, 2020,20, 4528-4538
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