Cas no 87682-47-1 (1,1'-Biphenyl, 2,2'-dibromo-3,5'-dinitro-)
87682-47-1 structure
Product Name:1,1'-Biphenyl, 2,2'-dibromo-3,5'-dinitro-
CAS No:87682-47-1
MF:C12H6Br2N2O4
MW:401.995041370392
CID:653585
PubChem ID:13710470
Update Time:2025-04-19
1,1'-Biphenyl, 2,2'-dibromo-3,5'-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 2,2'-dibromo-3,5'-dinitro-
- 2-bromo-1-(2-bromo-5-nitrophenyl)-3-nitrobenzene
- DTXSID60547380
- 2,2'-Dibromo-3,5'-dinitro-1,1'-biphenyl
- SCHEMBL10638485
- 87682-47-1
-
- Inchi： 1S/C12H6Br2N2O4/c13-10-5-4-7(15(17)18)6-9(10)8-2-1-3-11(12(8)14)16(19)20/h1-6H
- InChI Key： JOYPQMCWIABPNQ-UHFFFAOYSA-N
- SMILES： BrC1C(=CC=CC=1C1C(=CC=C(C=1)[N+](=O)[O-])Br)[N+](=O)[O-]
Computed Properties
- Exact Mass: 401.86738g/mol
- Monoisotopic Mass: 399.86943g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 1
- Complexity: 385
- 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: 4.6
- Topological Polar Surface Area: 91.6?2
1,1'-Biphenyl, 2,2'-dibromo-3,5'-dinitro- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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