| CAS Number | 1211635-62-9 |
| Catalog Number | AG009WX3 |
| Chemical Name | 3-Bromo-5-fluoro-N-methylbenzamide |
| IUPAC Name | 3-bromo-5-fluoro-N-methylbenzamide |
| InChI | InChI=1S/C8H7BrFNO/c1-11-8(12)5-2-6(9)4-7(10)3-5/h2-4H,1H3,(H,11,12) |
| InChI Key | HPXPPMBGUNIXDQ-UHFFFAOYSA-N |
| MDL Number | MFCD13399077 |
| Molecular Formula | C8H7BrFNO |
| Molecular Weight | 232.0497 |
| SMILES | CNC(=O)c1cc(F)cc(c1)Br |
| Synonyms | 3-bromo-5-fluoro-N-methylbenzamide,
1211635-62-9,
ZINC40107461,
AKOS009472946,
MCULE-7783350421,
Z8284,
C8H7BrFNO,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.052g/mol |
| Monoisotopic Mass | 230.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number