Cas no 2145-86-0 (Carbanilic acid,2,5-difluoro-, ethyl ester (7CI,8CI))
2145-86-0 structure
Product Name:Carbanilic acid,2,5-difluoro-, ethyl ester (7CI,8CI)
Carbanilic acid,2,5-difluoro-, ethyl ester (7CI,8CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbanilic acid,2,5-difluoro-, ethyl ester (7CI,8CI)
- ACMC-20mhk5
- AGN-PC-00NWB9
- CHEMBL609715
- CTK0D0362
- DL-Tyrosine, N-(2,4-dinitrophenyl)-
- N-(2,4-dinitro-phenyl)-tyrosine
- N-(2.4-Dinitro-phenyl)-dl-tyrosin
- N-(2.5-Difluor-phenyl)-carbamidsaeureethylester
- N-< 2.5-Difluor-phenyl> -carbamidsaeureethylester
- 2145-86-0
- NSC-51598
- NSC51598
- DTXSID90944045
- AKOS008932171
- ethyl N-(2,5-difluorophenyl)carbamate
- F96457
- Ethyl hydrogen (2,5-difluorophenyl)carbonimidate
-
- Inchi： 1S/C9H9F2NO2/c1-2-14-9(13)12-8-5-6(10)3-4-7(8)11/h3-5H,2H2,1H3,(H,12,13)
- InChI Key： NTRIBXGEERCDGP-UHFFFAOYSA-N
- SMILES： FC1C=CC(=CC=1NC(=O)OCC)F
Computed Properties
- Exact Mass: 201.06017
- Monoisotopic Mass: 201.06013485g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 201
- 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: 2.2
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
Carbanilic acid,2,5-difluoro-, ethyl ester (7CI,8CI) Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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