| CAS Number | 1214339-27-1 |
| Catalog Number | AG009WW1(AGN-PC-0WNNUW) |
| Chemical Name | 1-Bromo-4-(chloromethyl)-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-4-(chloromethyl)-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5BrClF3/c9-7-2-1-5(4-10)3-6(7)8(11,12)13/h1-3H,4H2 |
| InChI Key | MVQAOAPRDSGKGK-UHFFFAOYSA-N |
| MDL Number | MFCD13185419 |
| Molecular Formula | C8H5BrClF3 |
| Molecular Weight | 273.4775 |
| SMILES | BrC1=C(C=C(C=C1)CCl)C(F)(F)F |
| Synonyms | 1-Bromo-4-(chloromethyl)-2-(trifluoromethyl)benzene,
1214339-27-1,
4-Bromo-3-(trifluoromethyl)benzyl chloride,
MFCD13185419,
ZINC89064990,
AKOS017559826,
Z8312,
C8H5BrClF3,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.477g/mol |
| Monoisotopic Mass | 271.922g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number