Cas no 640766-74-1 (Benzene, 1-(2-nitrophenoxy)-2-(trifluoromethyl)-)
640766-74-1 structure
Product Name:Benzene, 1-(2-nitrophenoxy)-2-(trifluoromethyl)-
CAS No:640766-74-1
MF:C13H8F3NO3
MW:283.20273399353
CID:425017
PubChem ID:20163311
Update Time:2025-04-19
Benzene, 1-(2-nitrophenoxy)-2-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(2-nitrophenoxy)-2-(trifluoromethyl)-
- 1-(2-nitrophenoxy)-2-(trifluoromethyl)benzene
- 640766-74-1
- 2-[2-(trifluoromethyl)phenoxy]-1-nitrobenzene
- SCHEMBL1341293
- DTXSID70603183
- 1-Nitro-2-[2-(trifluoromethyl)phenoxy]benzene
-
- Inchi： 1S/C13H8F3NO3/c14-13(15,16)9-5-1-3-7-11(9)20-12-8-4-2-6-10(12)17(18)19/h1-8H
- InChI Key： MIGOZRXDIFFEER-UHFFFAOYSA-N
- SMILES： FC(C1C=CC=CC=1OC1C=CC=CC=1[N+](=O)[O-])(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: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 343
- 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: 4.2
- Topological Polar Surface Area: 55?2
Experimental Properties
- PSA: 52.37
Benzene, 1-(2-nitrophenoxy)-2-(trifluoromethyl)- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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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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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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