Cas no 1352934-60-1 (1-Methoxy-7-(trifluoromethyl)isoquinoline)
1352934-60-1 structure
Product Name:1-Methoxy-7-(trifluoromethyl)isoquinoline
CAS No:1352934-60-1
MF:C11H8F3NO
MW:227.18253326416
CID:2902251
PubChem ID:58562521
Update Time:2024-02-29
1-Methoxy-7-(trifluoromethyl)isoquinoline Chemical and Physical Properties
Names and Identifiers
-
- 1-methoxy-7-(trifluoromethyl)isoquinoline
- 7-(TRIFLUOROMETHYL)-1-METHOXYISOQUINOLINE
- Isoquinoline, 1-methoxy-7-(trifluoromethyl)-
- 1-Methoxy-7-(trifluoromethyl)isoquinoline
-
- Inchi： 1S/C11H8F3NO/c1-16-10-9-6-8(11(12,13)14)3-2-7(9)4-5-15-10/h2-6H,1H3
- InChI Key： GVKIDNCXLLYWJZ-UHFFFAOYSA-N
- SMILES： FC(C1C=CC2C=CN=C(C=2C=1)OC)(F)F
Computed Properties
- Exact Mass: 227.05579836g/mol
- Monoisotopic Mass: 227.05579836g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 22.1
1-Methoxy-7-(trifluoromethyl)isoquinoline Related Literature
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Pavel Karásek,Jakub Grym,Michal Roth,Josef Planeta,Franti?ek Foret Lab Chip, 2015,15, 311-318
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
1352934-60-1 (1-Methoxy-7-(trifluoromethyl)isoquinoline) Related Products
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