| CAS Number | 1343359-94-3 |
| Catalog Number | AG01AM23 |
| Chemical Name | 3-Bromo-5-fluoroisatoic anhydride |
| IUPAC Name | 8-bromo-6-fluoro-1H-3,1-benzoxazine-2,4-dione |
| InChI | InChI=1S/C8H3BrFNO3/c9-5-2-3(10)1-4-6(5)11-8(13)14-7(4)12/h1-2H,(H,11,13) |
| InChI Key | YBUVMWGXKDHZOY-UHFFFAOYSA-N |
| MDL Number | MFCD18269603 |
| Molecular Formula | C8H3BrFNO3 |
| Molecular Weight | 260.0167 |
| SMILES | FC1=CC2=C(NC(OC2=O)=O)C(Br)=C1 |
| Synonyms | 3-Bromo-5-fluoroisatoic anhydride,
1343359-94-3,
8-bromo-6-fluoro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione,
MFCD18269603,
ZINC62821939,
AKOS012410270,
PS-10622,
|
| 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