Cas no 587886-32-6 (3-QUINOLINECARBOXYLIC ACID, 6-METHYL-2-(TRIFLUOROMETHYL)-, METHYL ESTER)
587886-32-6 structure
Product Name:3-QUINOLINECARBOXYLIC ACID, 6-METHYL-2-(TRIFLUOROMETHYL)-, METHYL ESTER
CAS No:587886-32-6
MF:C13H10F3NO2
MW:269.219213962555
CID:3301026
PubChem ID:11807721
Update Time:2025-04-21
3-QUINOLINECARBOXYLIC ACID, 6-METHYL-2-(TRIFLUOROMETHYL)-, METHYL ESTER Chemical and Physical Properties
Names and Identifiers
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- 3-QUINOLINECARBOXYLIC ACID, 6-METHYL-2-(TRIFLUOROMETHYL)-, METHYL ESTER
- Methyl 6-methyl-2-(trifluoromethyl)-3-quinolinecarboxylate
- DTXSID301194801
- 587886-32-6
-
- Inchi： 1S/C13H10F3NO2/c1-7-3-4-10-8(5-7)6-9(12(18)19-2)11(17-10)13(14,15)16/h3-6H,1-2H3
- InChI Key： REKZWFTXVFFTPD-UHFFFAOYSA-N
- SMILES： FC(C1=C(C(=O)OC)C=C2C=C(C)C=CC2=N1)(F)F
Computed Properties
- Exact Mass: 269.06636305Da
- Monoisotopic Mass: 269.06636305Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 345
- 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: 3.3
- Topological Polar Surface Area: 39.2?2
3-QUINOLINECARBOXYLIC ACID, 6-METHYL-2-(TRIFLUOROMETHYL)-, METHYL ESTER Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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