| CAS Number | 1204810-99-0 |
| Catalog Number | AG00935M(AGN-PC-0WR1RO) |
| Chemical Name | 3-Bromo-4-chloro-6-trifluoromethylquinoline |
| IUPAC Name | 3-bromo-4-chloro-6-(trifluoromethyl)quinoline |
| InChI | InChI=1S/C10H4BrClF3N/c11-7-4-16-8-2-1-5(10(13,14)15)3-6(8)9(7)12/h1-4H |
| InChI Key | BNOPQFZALQIKEY-UHFFFAOYSA-N |
| MDL Number | MFCD13192972 |
| Molecular Formula | C10H4BrClF3N |
| Molecular Weight | 310.4977 |
| SMILES | BrC=1C=NC2=CC=C(C=C2C1Cl)C(F)(F)F |
| Synonyms | 3-Bromo-4-chloro-6-trifluoromethylquinoline,
1204810-99-0,
3-Bromo-4-chloro-6-(trifluoromethyl)quinoline,
DTXSID70671180,
MFCD13192972,
ZINC41702342,
PC404599,
T6280,
3-Bromo-4-chloro-6-trifluoromethylquinoline, AldrichCPR,
|
| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.498g/mol |
| Monoisotopic Mass | 308.917g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number