| CAS Number | 342-30-3 |
| Catalog Number | AG00CLXW(AGN-PC-0WD09R) |
| Chemical Name | 5-(Trifluoromethyl)quinoline |
| IUPAC Name | 5-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C10H6F3N/c11-10(12,13)8-4-1-5-9-7(8)3-2-6-14-9/h1-6H |
| InChI Key | YIFZKLFTSGGGQW-UHFFFAOYSA-N |
| MDL Number | MFCD16619721 |
| Molecular Formula | C10H6F3N |
| Molecular Weight | 197.1565 |
| SMILES | FC(C1=C2C(N=CC=C2)=CC=C1)(F)F |
| Synonyms | 5-(Trifluoromethyl)quinoline,
342-30-3,
SCHEMBL827601,
CTK8C2836,
DTXSID30600370,
Quinoline, 5-(trifluoromethyl)-,
4087AB,
ANW-69094,
ZINC82789141,
AKOS016005841,
MCULE-5869414721,
NE41660,
AJ-125609,
TC-157839,
Z1815156975,
C10H6F3N,
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| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.16g/mol |
| Monoisotopic Mass | 197.045g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number