| CAS Number | 937688-27-2 |
| Catalog Number | AG019S0T(AGN-PC-0WODO6) |
| Chemical Name | 6-fluoro-2-oxo-2H-chromene-3-carboxylic acid |
| IUPAC Name | 6-fluoro-2-oxochromene-3-carboxylic acid |
| InChI | InChI=1S/C10H5FO4/c11-6-1-2-8-5(3-6)4-7(9(12)13)10(14)15-8/h1-4H,(H,12,13) |
| InChI Key | IKANRIZTFUIWLU-UHFFFAOYSA-N |
| MDL Number | MFCD08753858 |
| Molecular Formula | C10H5FO4 |
| Molecular Weight | 208.1427 |
| SMILES | OC(C1C(=O)OC2=C(C=C(C=C2)F)C=1)=O |
| Synonyms | 6-fluoro-2-oxo-2H-chromene-3-carboxylic acid,
937688-27-2,
SCHEMBL9068774,
IKANRIZTFUIWLU-UHFFFAOYSA-N,
6-fluorocoumarin-3-carboxylic acid,
MFCD08753858,
SBB077422,
ZINC39281219,
AKOS002666469,
MCULE-4278456177,
NE30779,
6-fluoro-2-oxochromene-3-carboxylic acid,
AS-43364,
EN300-91357,
A1-07466,
F2100-0059,
Z1262691708,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.144g/mol |
| Monoisotopic Mass | 208.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number