| CAS Number | 1368799-14-7 |
| Catalog Number | AG01C2FD |
| Chemical Name | 5-fluoro-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chloride |
| IUPAC Name | 5-fluoro-2-oxo-3H-1,3-benzoxazole-6-sulfonyl chloride |
| InChI | InChI=1S/C7H3ClFNO4S/c8-15(12,13)6-2-5-4(1-3(6)9)10-7(11)14-5/h1-2H,(H,10,11) |
| InChI Key | AVWYCZNTEYZBFK-UHFFFAOYSA-N |
| MDL Number | MFCD21875880 |
| Molecular Formula | C7H3ClFNO4S |
| Molecular Weight | 251.6194 |
| SMILES | FC1=C(S(Cl)(=O)=O)C=C2C(NC(O2)=O)=C1 |
| Synonyms | 1368799-14-7,
5-Fluoro-2-oxo-2,3-dihydrobenzo[d]oxazole-6-sulfonyl chloride,
5-fluoro-2-oxo-2,3-dihydro-1,3-benzoxazole-6-sulfonyl chloride,
SCHEMBL14895884,
AVWYCZNTEYZBFK-UHFFFAOYSA-N,
6-Benzoxazolesulfonyl chloride, 5-fluoro-2,3-dihydro-2-oxo-,
MFCD21875880,
ZINC105380078,
AS-48564,
|
| Complexity | 381 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.612g/mol |
| Monoisotopic Mass | 250.946g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number