| CAS Number | 886763-13-9 |
| Catalog Number | AG00IFBV(AGN-PC-0WOJW1) |
| Chemical Name | 2-Bromo-5-(trifluoromethoxy)benzyl bromide |
| IUPAC Name | 1-bromo-2-(bromomethyl)-4-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C8H5Br2F3O/c9-4-5-3-6(1-2-7(5)10)14-8(11,12)13/h1-3H,4H2 |
| InChI Key | TVBXKZSWLSZTRG-UHFFFAOYSA-N |
| MDL Number | MFCD07368721 |
| Molecular Formula | C8H5Br2F3O |
| Molecular Weight | 333.9279 |
| SMILES | FC(F)(F)OC1=CC=C(Br)C(CBr)=C1 |
| Synonyms | 2-Bromo-5-(trifluoromethoxy)benzyl bromide,
886763-13-9,
1-bromo-2-(bromomethyl)-4-(trifluoromethoxy)benzene,
AC1MD48K,
SCHEMBL2291338,
CTK5I9749,
DTXSID90382569,
TVBXKZSWLSZTRG-UHFFFAOYSA-N,
ZX-AP002908,
KM2725,
MFCD07368721,
PC1067,
ZINC16125775,
FCH1322361,
AS-46436,
CID2783308,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.864g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.93g/mol |
| Monoisotopic Mass | 331.866g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number