| CAS Number | 951884-17-6 |
| Catalog Number | AG003T4B(AGN-PC-0WAELG) |
| Chemical Name | N-Isobutyl 2-bromo-5-fluorobenzamide |
| IUPAC Name | 2-bromo-5-fluoro-N-(2-methylpropyl)benzamide |
| InChI | InChI=1S/C11H13BrFNO/c1-7(2)6-14-11(15)9-5-8(13)3-4-10(9)12/h3-5,7H,6H2,1-2H3,(H,14,15) |
| InChI Key | FDHFKYPOGPADGG-UHFFFAOYSA-N |
| MDL Number | MFCD09800914 |
| Molecular Formula | C11H13BrFNO |
| Molecular Weight | 274.1294 |
| SMILES | CC(CNC(=O)c1cc(F)ccc1Br)C |
| Synonyms | 951884-17-6,
2-Bromo-5-fluoro-N-isobutylbenzamide,
N-Isobutyl 2-bromo-5-fluorobenzamide,
2-bromo-5-fluoro-N-(2-methylpropyl)benzamide,
ACMC-209rvy,
CTK5H7470,
DTXSID60640749,
N-Isobutyl2-bromo-5-fluorobenzamide,
ANW-40412,
MFCD09800914,
ZINC16159674,
AKOS000171259,
RTR-029689,
AJ-68728,
TR-029689,
V9527,
B-4017,
I01-10697,
C11H13BrFNO,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.133g/mol |
| Monoisotopic Mass | 273.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number