| CAS Number | 1214327-32-8 |
| Catalog Number | AG019DTY(AGN-PC-0WBR8B) |
| Chemical Name | 4-Bromo-2-(bromomethyl)-1-(trifluoromethyl)benzene |
| IUPAC Name | 4-bromo-2-(bromomethyl)-1-(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H5Br2F3/c9-4-5-3-6(10)1-2-7(5)8(11,12)13/h1-3H,4H2 |
| InChI Key | RTJDTDNOPPUSGA-UHFFFAOYSA-N |
| MDL Number | MFCD13185415 |
| Molecular Formula | C8H5Br2F3 |
| Molecular Weight | 317.9285 |
| SMILES | FC(C1=C(CBr)C=C(Br)C=C1)(F)F |
| Synonyms | 1214327-32-8,
4-Bromo-2-(bromomethyl)-1-(trifluoromethyl)benzene,
5-Bromo-2-(trifluoromethyl)benzyl bromide,
SCHEMBL18149164,
MFCD13185415,
ZINC91251924,
AKOS017344279,
FCH1380628,
PS-9946,
PC500760,
AX8335282,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.869g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.931g/mol |
| Monoisotopic Mass | 315.871g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number