Cas no 596845-31-7 (Quinoline, 2-bromo-7-methyl-4-(trifluoromethyl)-)
596845-31-7 structure
Product Name:Quinoline, 2-bromo-7-methyl-4-(trifluoromethyl)-
CAS No:596845-31-7
MF:C11H7BrF3N
MW:290.079192399979
CID:4056499
PubChem ID:11033577
Update Time:2025-04-22
Quinoline, 2-bromo-7-methyl-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 2-bromo-7-methyl-4-(trifluoromethyl)-
- 2-bromo-7-methyl-4-(trifluoromethyl)quinoline
- DTXSID001254202
- 596845-31-7
- AKOS016038792
-
- Inchi： 1S/C11H7BrF3N/c1-6-2-3-7-8(11(13,14)15)5-10(12)16-9(7)4-6/h2-5H,1H3
- InChI Key： TWJGFWSXGHSNSI-UHFFFAOYSA-N
- SMILES： N1C2C(=CC=C(C)C=2)C(C(F)(F)F)=CC=1Br
Computed Properties
- Exact Mass: 288.97140Da
- Monoisotopic Mass: 288.97140Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 256
- 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: 4.5
- Topological Polar Surface Area: 12.9?2
Quinoline, 2-bromo-7-methyl-4-(trifluoromethyl)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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