| CAS Number | 1820618-26-5 |
| Catalog Number | AG01FGF5(AGN-PC-3H5E48) |
| Chemical Name | 4-Bromo-3-fluoroisatoic anhydride |
| IUPAC Name | 7-bromo-8-fluoro-1H-3,1-benzoxazine-2,4-dione |
| InChI | InChI=1S/C8H3BrFNO3/c9-4-2-1-3-6(5(4)10)11-8(13)14-7(3)12/h1-2H,(H,11,13) |
| InChI Key | ZNVJWGOVMJSHNZ-UHFFFAOYSA-N |
| MDL Number | MFCD28348374 |
| Molecular Formula | C8H3BrFNO3 |
| Molecular Weight | 260.0167 |
| SMILES | O=c1oc(=O)c2c([nH]1)c(F)c(cc2)Br |
| Synonyms | 4-Bromo-3-fluoroisatoic anhydride,
1820618-26-5,
ZINC253537452,
PS-10618,
7-Bromo-8-fluorobenzo[d][1,3]oxazine-2,4-dione,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.92803g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.02g/mol |
| Monoisotopic Mass | 258.92803g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number