| CAS Number | 893420-59-2 |
| Catalog Number | AG01BB4F |
| Chemical Name | 4-Bromo-3-fluoro-N,N-dimethylbenzamide |
| IUPAC Name | 4-bromo-3-fluoro-N,N-dimethylbenzamide |
| InChI | InChI=1S/C9H9BrFNO/c1-12(2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3 |
| InChI Key | SQSHZRBCVHCKPX-UHFFFAOYSA-N |
| MDL Number | MFCD16084889 |
| Molecular Formula | C9H9BrFNO |
| Molecular Weight | 246.0763 |
| SMILES | BrC1=C(C=C(C(=O)N(C)C)C=C1)F |
| Synonyms | 4-bromo-3-fluoro-N,N-dimethylbenzamide,
893420-59-2,
SCHEMBL850387,
SQSHZRBCVHCKPX-UHFFFAOYSA-N,
ZINC43578889,
AKOS010971342,
MCULE-9427517267,
4-Bromo-3-fluoro-N-methyl-N-methylbenzamide,
A1-07886,
|
| 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