Cas no 52176-54-2 (2-Amino-3-nitroquinolin-4(1H)-one)
52176-54-2 structure
Product Name:2-Amino-3-nitroquinolin-4(1H)-one
CAS No:52176-54-2
MF:C9H7N3O3
MW:205.170181512833
CID:2843387
Update Time:2023-08-07
2-Amino-3-nitroquinolin-4(1H)-one Chemical and Physical Properties
Names and Identifiers
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- 2-Amino-3-nitroquinolin-4(1H)-one
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- Inchi： 1S/C9H7N3O3/c10-9-7(12(14)15)8(13)5-3-1-2-4-6(5)11-9/h1-4H,(H3,10,11,13)
- InChI Key： QJZSIRYKUVFYOR-UHFFFAOYSA-N
- SMILES： O=C1C(=C(N)NC2C=CC=CC=21)[N+](=O)[O-]
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 345
- XLogP3: 1.7
- Topological Polar Surface Area: 101
2-Amino-3-nitroquinolin-4(1H)-one Related Literature
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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