| CAS Number | 1349716-95-5 |
| Catalog Number | AG01FDIE(AGN-PC-3H49P5) |
| Chemical Name | 1-bromo-2,5-dichloro-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-2,5-dichloro-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrCl2F3/c8-4-2-5(9)3(1-6(4)10)7(11,12)13/h1-2H |
| InChI Key | KWNKMLBDHTWOAR-UHFFFAOYSA-N |
| MDL Number | MFCD18917153 |
| Molecular Formula | C7H2BrCl2F3 |
| Molecular Weight | 293.8960 |
| SMILES | BrC1=C(C=C(C(=C1)Cl)C(F)(F)F)Cl |
| Synonyms | 4-Bromo-2,5-dichlorobenzotrifluoride,
1349716-95-5,
1-bromo-2,5-dichloro-4-(trifluoromethyl)benzene,
ZINC67802600,
FS-6604,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.867g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.892g/mol |
| Monoisotopic Mass | 291.867g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number