Cas no 1203952-56-0 (Tert-butyl 4-cyano-2-(trifluoromethyl)benzoate)
1203952-56-0 structure
Product Name:Tert-butyl 4-cyano-2-(trifluoromethyl)benzoate
CAS No:1203952-56-0
MF:C13H12F3NO2
MW:271.235094070435
CID:2891125
PubChem ID:58244301
Update Time:2025-04-21
Tert-butyl 4-cyano-2-(trifluoromethyl)benzoate Chemical and Physical Properties
Names and Identifiers
-
- SCHEMBL1417596
- tert-butyl4-cyano-2-(trifluoromethyl)benzoate
- 1203952-56-0
- Tert-butyl 4-cyano-2-(trifluoromethyl)benzoate
-
- Inchi： 1S/C13H12F3NO2/c1-12(2,3)19-11(18)9-5-4-8(7-17)6-10(9)13(14,15)16/h4-6H,1-3H3
- InChI Key： CJYMXRIOBOKKKY-UHFFFAOYSA-N
- SMILES： FC(C1C=C(C#N)C=CC=1C(=O)OC(C)(C)C)(F)F
Computed Properties
- Exact Mass: 271.08201311Da
- Monoisotopic Mass: 271.08201311Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 389
- 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: 3.4
- Topological Polar Surface Area: 50.1?2
Tert-butyl 4-cyano-2-(trifluoromethyl)benzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019095157-1g |
tert-Butyl 4-cyano-2-(trifluoromethyl)benzoate |
1203952-56-0 | 97% | 1g |
$400.00 | 2023-09-04 |
Tert-butyl 4-cyano-2-(trifluoromethyl)benzoate Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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