| CAS Number | 181039-99-6 |
| Catalog Number | AG01A5VL |
| Chemical Name | methyl 2-bromo-2-[2-(trifluoromethyl)phenyl]acetate |
| IUPAC Name | methyl 2-bromo-2-[2-(trifluoromethyl)phenyl]acetate |
| InChI | InChI=1S/C10H8BrF3O2/c1-16-9(15)8(11)6-4-2-3-5-7(6)10(12,13)14/h2-5,8H,1H3 |
| InChI Key | BRBOEALBFMVDME-UHFFFAOYSA-N |
| MDL Number | MFCD25371625 |
| Molecular Formula | C10H8BrF3O2 |
| Molecular Weight | 297.0685 |
| SMILES | COC(C(C1=C(C(F)(F)F)C=CC=C1)Br)=O |
| Synonyms | methyl 2-bromo-2-[2-(trifluoromethyl)phenyl]acetate,
181039-99-6,
NE40734,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.071g/mol |
| Monoisotopic Mass | 295.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number