| CAS Number | 5280-10-4 |
| Catalog Number | AG01C2AZ(AGN-PC-0KNV3D) |
| Chemical Name | 5,6,8-Trifluoroquinoline |
| IUPAC Name | 5,6,8-trifluoroquinoline |
| InChI | InChI=1S/C9H4F3N/c10-6-4-7(11)9-5(8(6)12)2-1-3-13-9/h1-4H |
| InChI Key | DFYPWUZXTWLPSC-UHFFFAOYSA-N |
| MDL Number | MFCD01939057 |
| Molecular Formula | C9H4F3N |
| Molecular Weight | 183.1300 |
| SMILES | FC1=C(F)C2=C(N=CC=C2)C(F)=C1 |
| Synonyms | 5,6,8-Trifluoroquinoline,
5280-10-4,
CCRIS 8761,
Quinoline, 5,6,8-trifluoro-,
AC1MHZM5,
SCHEMBL10510901,
CTK4J6529,
DTXSID20200782,
ZINC33505825,
AKOS033859200,
LS-142190,
Z2301438447,
CID3014355,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.133g/mol |
| Monoisotopic Mass | 183.03g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number