| CAS Number | 18706-37-1 |
| Catalog Number | AG003KIU(AGN-PC-00PZJV) |
| Chemical Name | 4,6,8-Trichloro-2-(Trifluoromethyl)Quinoline |
| IUPAC Name | 4,6,8-trichloro-2-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C10H3Cl3F3N/c11-4-1-5-6(12)3-8(10(14,15)16)17-9(5)7(13)2-4/h1-3H |
| InChI Key | FDGCOXVUWAKSTA-UHFFFAOYSA-N |
| MDL Number | MFCD08448254 |
| Molecular Formula | C10H3Cl3F3N |
| Molecular Weight | 300.4917 |
| SMILES | Clc1cc(Cl)c2c(c1)c(Cl)cc(n2)C(F)(F)F |
| Synonyms | 4,6,8-TRICHLORO-2-(TRIFLUOROMETHYL)QUINOLINE,
18706-37-1,
SCHEMBL10972715,
CTK4D9402,
DTXSID50575955,
ANW-23322,
MFCD08448254,
ZINC36912816,
AKOS009867133,
AJ-93438,
AX8251512,
BC4216615,
TR-008655,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.486g/mol |
| Monoisotopic Mass | 298.928g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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Certificate of Analysis
Lot Number