Cas no 14094-47-4 (Quinoline,3-methoxy-4-nitro-, 1-oxide)
14094-47-4 structure
Product Name:Quinoline,3-methoxy-4-nitro-, 1-oxide
CAS No:14094-47-4
MF:C10H8N2O4
MW:220.181522369385
CID:218291
PubChem ID:167000
Update Time:2025-04-19
Quinoline,3-methoxy-4-nitro-, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- Quinoline,3-methoxy-4-nitro-, 1-oxide
- 3-methoxy-4-nitro-1-oxidoquinolin-1-ium
- CHEMBL3244962
- 14094-47-4
- DTXSID10161499
- Quinoline, 3-methoxy-4-nitro-, 1-oxide
- 3-methoxy-4-nitroquinoline 1-oxide
-
- Inchi: 1S/C10H8N2O4/c1-16-9-6-11(13)8-5-3-2-4-7(8)10(9)12(14)15/h2-6H,1H3
- InChI Key: SEDHYBDWEGMQLO-UHFFFAOYSA-N
- SMILES: O(C)C1=C[N+](=C2C=CC=CC2=C1[N+](=O)[O-])[O-]
Computed Properties
- Exact Mass: 220.04844
- Monoisotopic Mass: 220.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 268
- 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: 0.7
- Topological Polar Surface Area: 80.5?2
Experimental Properties
- PSA: 79.31
Quinoline,3-methoxy-4-nitro-, 1-oxide Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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