Cas no 651778-80-2 (1,1'-Biphenyl, 5-nitro-2-(trifluoromethyl)-)
651778-80-2 structure
Product Name:1,1'-Biphenyl, 5-nitro-2-(trifluoromethyl)-
CAS No:651778-80-2
MF:C13H8F3NO2
MW:267.203333854675
CID:403062
PubChem ID:71376577
Update Time:2025-04-19
1,1'-Biphenyl, 5-nitro-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,1'-Biphenyl, 5-nitro-2-(trifluoromethyl)-
- 4-nitro-2-phenyl-1-(trifluoromethyl)benzene
- 651778-80-2
- 5-Nitro-2-(trifluoromethyl)-1,1'-biphenyl
- DTXSID00799260
-
- Inchi： 1S/C13H8F3NO2/c14-13(15,16)12-7-6-10(17(18)19)8-11(12)9-4-2-1-3-5-9/h1-8H
- InChI Key： BZRYJACKYZJNRN-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(=CC=1C1C=CC=CC=1)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 267.05074
- Monoisotopic Mass: 267.05071298g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 321
- 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: 4.8
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 43.14
1,1'-Biphenyl, 5-nitro-2-(trifluoromethyl)- Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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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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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
651778-80-2 (1,1'-Biphenyl, 5-nitro-2-(trifluoromethyl)-) Related Products
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