| CAS Number | 755030-17-2 |
| Catalog Number | AG00GARA |
| Chemical Name | N-[3-bromo-4-(trifluoromethoxy)phenyl]acetamide |
| IUPAC Name | N-[3-bromo-4-(trifluoromethoxy)phenyl]acetamide |
| InChI | InChI=1S/C9H7BrF3NO2/c1-5(15)14-6-2-3-8(7(10)4-6)16-9(11,12)13/h2-4H,1H3,(H,14,15) |
| InChI Key | RHHGKDDKXSSPOF-UHFFFAOYSA-N |
| MDL Number | MFCD13176598 |
| Molecular Formula | C9H7BrF3NO2 |
| Molecular Weight | 298.0566 |
| SMILES | [Br]C1(=C(OC(F)(F)F)C=CC(=C1)NC(=O)C) |
| Synonyms | 755030-17-2,
3'-Bromo-4'-(trifluoromethoxy)acetanilide,
PS-7141,
3'-Bromo-4'-(trifluoromethoxy)acetanilide 99%,
4-Acetamido-2-bromo-alpha,alpha,alpha-trifluoroanisole,
N-[3-Bromo-4-(trifluoromethoxy)phenyl]acetamide,
N-(3-Bromo-4-(trifluoromethoxy)phenyl)acetamide,
SCHEMBL4855842,
CTK6A0705,
KS-00003QZQ,
MFCD13176598,
ZINC44790284,
AKOS025393471,
|
| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.059g/mol |
| Monoisotopic Mass | 296.961g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number