| CAS Number | 87299-59-0 |
| Catalog Number | AG019MMT(AGN-PC-0WO4JO) |
| Chemical Name | Ethyl 5-(chlorosulfonyl)furan-2-carboxylate |
| IUPAC Name | ethyl 5-chlorosulfonylfuran-2-carboxylate |
| InChI | InChI=1S/C7H7ClO5S/c1-2-12-7(9)5-3-4-6(13-5)14(8,10)11/h3-4H,2H2,1H3 |
| InChI Key | JBVARSZSFYYPBK-UHFFFAOYSA-N |
| MDL Number | MFCD17976951 |
| Molecular Formula | C7H7ClO5S |
| Molecular Weight | 238.6455 |
| SMILES | O=C(C1=CC=C(S(=O)(Cl)=O)O1)OCC |
| Synonyms | ethyl 5-(chlorosulfonyl)furan-2-carboxylate,
87299-59-0,
SCHEMBL18007636,
AC1Q3474,
AKOS006223183,
ZINC100572818,
NE37645,
EN300-36645,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.638g/mol |
| Monoisotopic Mass | 237.97g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number