Cas no 1707391-96-5 (3-Bromo-2-chloro-4-(4-chlorophenyl)-6-methyl-5-nitropyridine)
1707391-96-5 structure
Product Name:3-Bromo-2-chloro-4-(4-chlorophenyl)-6-methyl-5-nitropyridine
CAS No:1707391-96-5
MF:C12H7BrCl2N2O2
MW:362.006180047989
CID:5740974
PubChem ID:97618452
Update Time:2023-11-10
3-Bromo-2-chloro-4-(4-chlorophenyl)-6-methyl-5-nitropyridine Chemical and Physical Properties
Names and Identifiers
-
- 1707391-96-5
- 3-Bromo-2-chloro-4-(4-chlorophenyl)-6-methyl-5-nitropyridine
- 3-Bromo-2-chloro-4-(4-chloro-phenyl)-6-methyl-5-nitro-pyridine
- Pyridine, 3-bromo-2-chloro-4-(4-chlorophenyl)-6-methyl-5-nitro-
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- Inchi： 1S/C12H7BrCl2N2O2/c1-6-11(17(18)19)9(10(13)12(15)16-6)7-2-4-8(14)5-3-7/h2-5H,1H3
- InChI Key： BKSJZAYROMNSIZ-UHFFFAOYSA-N
- SMILES： BrC1=C(N=C(C)C(=C1C1C=CC(=CC=1)Cl)[N+](=O)[O-])Cl
Computed Properties
- Exact Mass: 359.90680g/mol
- Monoisotopic Mass: 359.90680g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 334
- 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: 5
- Topological Polar Surface Area: 58.7?2
Experimental Properties
- Density: 1.674±0.06 g/cm3(Predicted)
- Boiling Point: 390.8±37.0 °C(Predicted)
- pka: -4.24±0.10(Predicted)
3-Bromo-2-chloro-4-(4-chlorophenyl)-6-methyl-5-nitropyridine Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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