| CAS Number | 1935441-96-5 |
| Catalog Number | AG01FH8B(AGN-PC-3H4AMK) |
| Chemical Name | 5-Bromo-6-fluoroisatoic anhydride |
| IUPAC Name | 6-bromo-5-fluoro-1H-3,1-benzoxazine-2,4-dione |
| InChI | InChI=1S/C8H3BrFNO3/c9-3-1-2-4-5(6(3)10)7(12)14-8(13)11-4/h1-2H,(H,11,13) |
| InChI Key | JTKVAZWAWDROOX-UHFFFAOYSA-N |
| MDL Number | MFCD28897196 |
| Molecular Formula | C8H3BrFNO3 |
| Molecular Weight | 260.0167 |
| SMILES | Brc1ccc2c(c1F)c(=O)oc(=O)[nH]2 |
| Synonyms | 5-Bromo-6-fluoroisatoic anhydride,
1935441-96-5,
MFCD28897196,
ZINC259431615,
FCH3764441,
PC53036,
PS-10619,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.928g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.018g/mol |
| Monoisotopic Mass | 258.928g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number