Cas no 497098-62-1 (Pyrimidine, 2-azido-5-nitro-)
Pyrimidine, 2-azido-5-nitro- structure
Product Name:Pyrimidine, 2-azido-5-nitro-
CAS No:497098-62-1
MF:C4H2N6O2
MW:166.097678661346
CID:1530632
PubChem ID:6917249
Update Time:2025-04-21
Pyrimidine, 2-azido-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine, 2-azido-5-nitro-
- 2-azido-5-nitropyrimidine
- DTXSID00426049
- AKOS006286714
- 497098-62-1
-
- Inchi： 1S/C4H2N6O2/c5-9-8-4-6-1-3(2-7-4)10(11)12/h1-2H
- InChI Key： HKUZUYCFDFEUHL-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CN=C(N=[N+]=[N-])N=C1)=O
Computed Properties
- Exact Mass: 166.02406
- Monoisotopic Mass: 166.02392333g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 210
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.3
- Topological Polar Surface Area: 86?2
Experimental Properties
- PSA: 117.68
Pyrimidine, 2-azido-5-nitro- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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5. 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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