| CAS Number | 1231891-88-5 |
| Catalog Number | AG01DV35 |
| Chemical Name | 3-bromo-2-fluoro-N-methylbenzamide |
| IUPAC Name | 3-bromo-2-fluoro-N-methylbenzamide |
| InChI | InChI=1S/C8H7BrFNO/c1-11-8(12)5-3-2-4-6(9)7(5)10/h2-4H,1H3,(H,11,12) |
| InChI Key | ARXAOHLIEYXXNT-UHFFFAOYSA-N |
| MDL Number | MFCD31617154 |
| Molecular Formula | C8H7BrFNO |
| Molecular Weight | 232.0497 |
| SMILES | CNC(C1=C(F)C(Br)=CC=C1)=O |
| Synonyms | 3-bromo-2-fluoro-N-methylbenzamide,
1231891-88-5,
SCHEMBL145178,
AKOS023100810,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.9695g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.05g/mol |
| Monoisotopic Mass | 230.9695g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number