Cas no 1960-59-4 (Benzene,2-nitro-1-phenoxy-4-(trifluoromethyl)-)
1960-59-4 structure
Product Name:Benzene,2-nitro-1-phenoxy-4-(trifluoromethyl)-
CAS No:1960-59-4
MF:C13H8F3NO3
MW:283.20273399353
CID:237098
PubChem ID:245942
Update Time:2025-04-19
Benzene,2-nitro-1-phenoxy-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2-nitro-1-phenoxy-4-(trifluoromethyl)-
- 2-nitro-1-phenoxy-4-(trifluoromethyl)benzene
- Benzene, 2-nitro-1-phenoxy-4-(trifluoromethyl)-
- NSC-58416
- nitrophenoxy-4 (trifluoro-methyl) benzene
- HMS543L08
- AKOS003624072
- Maybridge1_000778
- 1960-59-4
- DTXSID20288984
- 2-nitro-4-trifluoromethylphenyl phenyl ether
- SCHEMBL10588184
- NCIOpen2_002825
- NSC58416
-
- MDL： MFCD00218195
- Inchi： 1S/C13H8F3NO3/c14-13(15,16)9-6-7-12(11(8-9)17(18)19)20-10-4-2-1-3-5-10/h1-8H
- InChI Key： FMPQPRZPVWQOMC-UHFFFAOYSA-N
- SMILES： FC(C1C=CC(=C(C=1)[N+](=O)[O-])OC1C=CC=CC=1)(F)F
Computed Properties
- Exact Mass: 283.04564
- Monoisotopic Mass: 283.04562760g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 337
- 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: 3.8
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Benzene,2-nitro-1-phenoxy-4-(trifluoromethyl)- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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