| CAS Number | 503470-40-4 |
| Catalog Number | AG01A554(AGN-PC-03Q94Y) |
| Chemical Name | 4-oxo-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride |
| IUPAC Name | 4-oxo-2,3-dihydrochromene-6-sulfonyl chloride |
| InChI | InChI=1S/C9H7ClO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-2,5H,3-4H2 |
| InChI Key | UDHJEOIBCQHSND-UHFFFAOYSA-N |
| MDL Number | MFCD19201154 |
| Molecular Formula | C9H7ClO4S |
| Molecular Weight | 246.6675 |
| SMILES | ClS(C1=CC2=C(OCCC2=O)C=C1)(=O)=O |
| Synonyms | 4-oxo-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride,
4-oxochroman-6-sulfonyl chloride,
503470-40-4,
SCHEMBL6304712,
UDHJEOIBCQHSND-UHFFFAOYSA-N,
ZINC97956506,
AKOS006336037,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.661g/mol |
| Monoisotopic Mass | 245.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number