| CAS Number | 1338941-68-6 |
| Catalog Number | AG009WWT(AGN-PC-0WNR3N) |
| Chemical Name | 3-Bromo-N-ethyl-5-fluorobenzamide |
| IUPAC Name | 3-bromo-N-ethyl-5-fluorobenzamide |
| InChI | InChI=1S/C9H9BrFNO/c1-2-12-9(13)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3,(H,12,13) |
| InChI Key | HGTPCEZSTJYDFI-UHFFFAOYSA-N |
| MDL Number | MFCD19597013 |
| Molecular Formula | C9H9BrFNO |
| Molecular Weight | 246.0763 |
| SMILES | CCNC(=O)c1cc(F)cc(c1)Br |
| Synonyms | 3-bromo-N-ethyl-5-fluorobenzamide,
1338941-68-6,
ZINC46738270,
Z9731,
C9H9BrFNO,
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| Complexity | 189 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.079g/mol |
| Monoisotopic Mass | 244.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number