| CAS Number | 1235568-08-7 |
| Catalog Number | AG00HHC8 |
| Chemical Name | 3-Bromo-5-fluoro-N,N-dimethylbenzamide |
| IUPAC Name | 3-bromo-5-fluoro-N,N-dimethylbenzamide |
| InChI | InChI=1S/C9H9BrFNO/c1-12(2)9(13)6-3-7(10)5-8(11)4-6/h3-5H,1-2H3 |
| InChI Key | LFOCQCFERXNWNR-UHFFFAOYSA-N |
| MDL Number | MFCD20357767 |
| Molecular Formula | C9H9BrFNO |
| Molecular Weight | 246.0763 |
| SMILES | c1(cc(cc(c1)C(=O)N(C)C)F)Br |
| Synonyms | Dimethyl 3-Bromo-5-fluorobenzamide,
1235568-08-7,
3-bromo-5-fluoro-N,N-dimethylbenzamide,
ZINC46787760,
FT-0728357,
Y2907,
C9H9BrFNO,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number