| CAS Number | 1980053-79-9 |
| Catalog Number | AG01FH8A(AGN-PC-3H4AMJ) |
| Chemical Name | 5-Bromo-6-fluoro-N-methylisatoic anhydride |
| IUPAC Name | 6-bromo-5-fluoro-1-methyl-3,1-benzoxazine-2,4-dione |
| InChI | InChI=1S/C9H5BrFNO3/c1-12-5-3-2-4(10)7(11)6(5)8(13)15-9(12)14/h2-3H,1H3 |
| InChI Key | RSRWOAJJVFXSEZ-UHFFFAOYSA-N |
| MDL Number | MFCD28897200 |
| Molecular Formula | C9H5BrFNO3 |
| Molecular Weight | 274.0433 |
| SMILES | Brc1ccc2c(c1F)c(=O)oc(=O)n2C |
| Synonyms | 5-Bromo-6-fluoro-N-methylisatoic anhydride,
1980053-79-9,
MFCD28897200,
ZINC259431658,
PC56003,
PS-10617,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.045g/mol |
| Monoisotopic Mass | 272.944g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number