Cas no 827340-44-3 (1,1'-Biphenyl, 4,4'-bis(bromomethyl)-3,3'-dinitro-)
827340-44-3 structure
Product Name:1,1'-Biphenyl, 4,4'-bis(bromomethyl)-3,3'-dinitro-
CAS No:827340-44-3
MF:C14H10Br2N2O4
MW:430.048202037811
CID:684447
PubChem ID:71417489
Update Time:2025-04-19
1,1'-Biphenyl, 4,4'-bis(bromomethyl)-3,3'-dinitro- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 4,4'-bis(bromomethyl)-3,3'-dinitro-
- 1-(bromomethyl)-4-[4-(bromomethyl)-3-nitrophenyl]-2-nitrobenzene
- DTXSID40836825
- 827340-44-3
- AKOS025296108
- 4,4'-Bis(bromomethyl)-3,3'-dinitro-1,1'-biphenyl
- SCHEMBL14713516
-
- Inchi： 1S/C14H10Br2N2O4/c15-7-11-3-1-9(5-13(11)17(19)20)10-2-4-12(8-16)14(6-10)18(21)22/h1-6H,7-8H2
- InChI Key： MNLHBURHKIZYGJ-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(=CC=1[N+](=O)[O-])C1C=CC(CBr)=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 429.89868g/mol
- Monoisotopic Mass: 427.90073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 375
- 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: 4.3
- Topological Polar Surface Area: 91.6?2
1,1'-Biphenyl, 4,4'-bis(bromomethyl)-3,3'-dinitro- Related Literature
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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