| CAS Number | 1339549-63-1 |
| Catalog Number | AG01C48C |
| Chemical Name | 8-Chloro-6-fluoro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione |
| IUPAC Name | 8-chloro-6-fluoro-1H-3,1-benzoxazine-2,4-dione |
| InChI | InChI=1S/C8H3ClFNO3/c9-5-2-3(10)1-4-6(5)11-8(13)14-7(4)12/h1-2H,(H,11,13) |
| InChI Key | VLRSNCFREMBXBW-UHFFFAOYSA-N |
| MDL Number | MFCD18269598 |
| Molecular Formula | C8H3ClFNO3 |
| Molecular Weight | 215.5657 |
| SMILES | FC1=CC2=C(NC(OC2=O)=O)C(Cl)=C1 |
| Synonyms | 8-chloro-6-fluoro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione,
1339549-63-1,
ZINC62821931,
AKOS012410412,
Z2379802749,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.564g/mol |
| Monoisotopic Mass | 214.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number