| CAS Number | 1007578-83-7 |
| Catalog Number | AG01FDAF(AGN-PC-3H49P0) |
| Chemical Name | 3-Bromo-5-(trifluoromethyl)benzamide |
| IUPAC Name | 3-bromo-5-(trifluoromethyl)benzamide |
| InChI | InChI=1S/C8H5BrF3NO/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H2,13,14) |
| InChI Key | NYCJLKMTNDLDGK-UHFFFAOYSA-N |
| MDL Number | MFCD27980429 |
| Molecular Formula | C8H5BrF3NO |
| Molecular Weight | 268.0306 |
| SMILES | Brc1cc(cc(c1)C(F)(F)F)C(=O)N |
| Synonyms | 3-bromo-5-(trifluoromethyl)benzamide,
1007578-83-7,
SCHEMBL627581,
NYCJLKMTNDLDGK-UHFFFAOYSA-N,
3-bromo-5-trifluoromethyl-benzamide,
ZINC114261749,
DA-16423,
FT-0762145,
A1-11911,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.033g/mol |
| Monoisotopic Mass | 266.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number