| CAS Number | 1016689-45-4 |
| Catalog Number | AG019WIV(AGN-PC-0WO0D1) |
| Chemical Name | 4-(chlorosulfonyl)-2,5-dimethylfuran-3-carboxylic acid |
| IUPAC Name | 4-chlorosulfonyl-2,5-dimethylfuran-3-carboxylic acid |
| InChI | InChI=1S/C7H7ClO5S/c1-3-5(7(9)10)6(4(2)13-3)14(8,11)12/h1-2H3,(H,9,10) |
| InChI Key | HQGKSNBJJARVOL-UHFFFAOYSA-N |
| MDL Number | MFCD09805951 |
| Molecular Formula | C7H7ClO5S |
| Molecular Weight | 238.6455 |
| SMILES | CC1=C(C(O)=O)C(S(Cl)(=O)=O)=C(C)O1 |
| Synonyms | 4-(chlorosulfonyl)-2,5-dimethylfuran-3-carboxylic acid,
1016689-45-4,
AC1Q2DJI,
CTK7I6210,
AKOS000160954,
ZINC100585403,
NE33265,
EN300-52126,
Z2785868404,
|
| Complexity | 333 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.638g/mol |
| Monoisotopic Mass | 237.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number