| CAS Number | 1000577-28-5 |
| Catalog Number | AG01EQJO(AGN-PC-3H47AO) |
| Chemical Name | 2-Bromo-1-chloro-3,4,5-trifluorobenzene |
| IUPAC Name | 2-bromo-1-chloro-3,4,5-trifluorobenzene |
| InChI | InChI=1S/C6HBrClF3/c7-4-2(8)1-3(9)5(10)6(4)11/h1H |
| InChI Key | IDWJHPHIYHBSKA-UHFFFAOYSA-N |
| MDL Number | MFCD09800795 |
| Molecular Formula | C6HBrClF3 |
| Molecular Weight | 245.4243 |
| SMILES | C1(C(F)=C(F)C(F)=CC=1Cl)Br |
| Synonyms | 1-Bromo-2-chloro-4,5,6-trifluorobenzene,
1000577-28-5,
2-bromo-1-chloro-3,4,5-trifluorobenzene,
SCHEMBL9227866,
ZINC63339595,
AKOS027385730,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.423g/mol |
| Monoisotopic Mass | 243.89g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number