| CAS Number | 443955-36-0 |
| Catalog Number | AG01EK9M(AGN-PC-03H0H9) |
| Chemical Name | 7-fluoro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid |
| IUPAC Name | 7-fluoro-3-oxo-4H-1,4-benzoxazine-6-carboxylic acid |
| InChI | InChI=1S/C9H6FNO4/c10-5-2-7-6(1-4(5)9(13)14)11-8(12)3-15-7/h1-2H,3H2,(H,11,12)(H,13,14) |
| InChI Key | RWZKLTNQQDJZKY-UHFFFAOYSA-N |
| MDL Number | MFCD24496948 |
| Molecular Formula | C9H6FNO4 |
| Molecular Weight | 211.1466 |
| SMILES | OC(C1=C(F)C=C2C(NC(CO2)=O)=C1)=O |
| Synonyms | SCHEMBL5257024,
7-fluoro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylic acid,
443955-36-0,
|
| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.148g/mol |
| Monoisotopic Mass | 211.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number