| CAS Number | 214261-65-1 |
| Catalog Number | AG01AJT8 |
| Chemical Name | 4-bromo-N-(2,2,2-trifluoroethyl)benzamide |
| IUPAC Name | 4-bromo-N-(2,2,2-trifluoroethyl)benzamide |
| InChI | InChI=1S/C9H7BrF3NO/c10-7-3-1-6(2-4-7)8(15)14-5-9(11,12)13/h1-4H,5H2,(H,14,15) |
| InChI Key | LQZGTGRBYQARBF-UHFFFAOYSA-N |
| MDL Number | MFCD09938798 |
| Molecular Formula | C9H7BrF3NO |
| Molecular Weight | 282.0572 |
| SMILES | FC(CNC(C1=CC=C(Br)C=C1)=O)(F)F |
| Synonyms | 4-bromo-N-(2,2,2-trifluoroethyl)benzamide,
214261-65-1,
ZINC19478943,
AKOS000179388,
NE20524,
EN300-81864,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.06g/mol |
| Monoisotopic Mass | 280.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number