Cas no 62579-60-6 (1,1'-Biphenyl, 3-bromo-4,4'-dinitro-)
62579-60-6 structure
Product Name:1,1'-Biphenyl, 3-bromo-4,4'-dinitro-
CAS No:62579-60-6
MF:C12H7BrN2O4
MW:323.098982095718
CID:439452
PubChem ID:71385035
Update Time:2025-04-19
1,1'-Biphenyl, 3-bromo-4,4'-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 3-bromo-4,4'-dinitro-
- 2-bromo-1-nitro-4-(4-nitrophenyl)benzene
- 3-Bromo-4,4'-dinitro-1,1'-biphenyl
- DTXSID00807278
- 62579-60-6
-
- Inchi： 1S/C12H7BrN2O4/c13-11-7-9(3-6-12(11)15(18)19)8-1-4-10(5-2-8)14(16)17/h1-7H
- InChI Key： VXRRZFXOHYVWJG-UHFFFAOYSA-N
- SMILES： BrC1=C(C=CC(=C1)C1C=CC(=CC=1)[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 321.95891
- Monoisotopic Mass: 321.95892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 347
- 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: 3.9
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 86.28
1,1'-Biphenyl, 3-bromo-4,4'-dinitro- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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