Cas no 41959-36-8 (Quinoxaline, 1,2,3,4-tetrahydro-5-nitro- (9CI))
41959-36-8 structure
Product Name:Quinoxaline, 1,2,3,4-tetrahydro-5-nitro- (9CI)
CAS No:41959-36-8
MF:C8H9N3O2
MW:179.175961256027
CID:927585
PubChem ID:21826387
Update Time:2025-04-19
Quinoxaline, 1,2,3,4-tetrahydro-5-nitro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Quinoxaline, 1,2,3,4-tetrahydro-5-nitro- (9CI)
- 5-nitro-1,2,3,4-tetrahydroquinoxaline
- SCHEMBL9501421
- 41959-36-8
- DTXSID40618527
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- Inchi: 1S/C8H9N3O2/c12-11(13)7-3-1-2-6-8(7)10-5-4-9-6/h1-3,9-10H,4-5H2
- InChI Key: MOSZQDFXODVKPF-UHFFFAOYSA-N
- SMILES: [O-][N+](C1=CC=CC2=C1NCCN2)=O
Computed Properties
- Exact Mass: 179.069476538g/mol
- Monoisotopic Mass: 179.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 204
- 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: 69.9?2
Quinoxaline, 1,2,3,4-tetrahydro-5-nitro- (9CI) Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
41959-36-8 (Quinoxaline, 1,2,3,4-tetrahydro-5-nitro- (9CI)) Related Products
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