| CAS Number | 1231891-86-3 |
| Catalog Number | AG01B6EO |
| Chemical Name | 3-bromo-2-fluoro-N,N-dimethylbenzamide |
| IUPAC Name | 3-bromo-2-fluoro-N,N-dimethylbenzamide |
| InChI | InChI=1S/C9H9BrFNO/c1-12(2)9(13)6-4-3-5-7(10)8(6)11/h3-5H,1-2H3 |
| InChI Key | KMXQAZGXBJULSK-UHFFFAOYSA-N |
| MDL Number | MFCD29091140 |
| Molecular Formula | C9H9BrFNO |
| Molecular Weight | 246.0763 |
| SMILES | CN(C(C1=C(F)C(Br)=CC=C1)=O)C |
| Synonyms | 3-bromo-2-fluoro-N,N-dimethylbenzamide,
1231891-86-3,
SCHEMBL123329,
ZINC113171488,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.079g/mol |
| Monoisotopic Mass | 244.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number