| CAS Number | 1031928-53-6 |
| Catalog Number | AG0085YN(AGN-PC-05T2VA) |
| Chemical Name | 2,8-Bis(trifluoromethyl)-4-vinylquinoline |
| IUPAC Name | 4-ethenyl-2,8-bis(trifluoromethyl)quinoline |
| InChI | InChI=1S/C13H7F6N/c1-2-7-6-10(13(17,18)19)20-11-8(7)4-3-5-9(11)12(14,15)16/h2-6H,1H2 |
| InChI Key | WRQUOKZRJAVFGC-UHFFFAOYSA-N |
| MDL Number | MFCD10703428 |
| Molecular Formula | C13H7F6N |
| Molecular Weight | 291.1918 |
| SMILES | C=Cc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F |
| Synonyms | 2,8-Bis(trifluoromethyl)-4-vinylquinoline,
1031928-53-6,
SCHEMBL11904076,
CTK4A1832,
DTXSID90653645,
MFCD10703428,
ZINC32099771,
AKOS025394080,
PC404566,
RT-016468,
2,8-Bis(trifluoromethyl)-4-ethenylquinoline,
2,8-bis-(Trifluoromethyl)-4-vinylquinoline,
4-ethenyl-2,8-bis(trifluoromethyl)quinoline,
T6121,
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| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.196g/mol |
| Monoisotopic Mass | 291.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number