| CAS Number | 1400644-97-4 |
| Catalog Number | AG009WWU(AGN-PC-0WNWTE) |
| Chemical Name | 6-Bromo-1-ethyl-7-fluoro-4H-quinoxaline-2,3-dione |
| IUPAC Name | 7-bromo-4-ethyl-6-fluoro-1H-quinoxaline-2,3-dione |
| InChI | InChI=1S/C10H8BrFN2O2/c1-2-14-8-4-6(12)5(11)3-7(8)13-9(15)10(14)16/h3-4H,2H2,1H3,(H,13,15) |
| InChI Key | MKDNXUSXOKMGIH-UHFFFAOYSA-N |
| MDL Number | MFCD22421516 |
| Molecular Formula | C10H8BrFN2O2 |
| Molecular Weight | 287.0851 |
| SMILES | CCn1c2cc(F)c(cc2[nH]c(=O)c1=O)Br |
| Synonyms | 6-Bromo-1-ethyl-7-fluoro-4H-quinoxaline-2,3-dione,
1400644-97-4,
ZINC95495616,
V3017,
C10H8BrFN2O2,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.088g/mol |
| Monoisotopic Mass | 285.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number