| CAS Number | 1507321-63-2 |
| Catalog Number | AG01DVFX |
| Chemical Name | 5-(chlorosulfonyl)-2,4-dimethylfuran-3-carboxylic acid |
| IUPAC Name | 5-chlorosulfonyl-2,4-dimethylfuran-3-carboxylic acid |
| InChI | InChI=1S/C7H7ClO5S/c1-3-5(6(9)10)4(2)13-7(3)14(8,11)12/h1-2H3,(H,9,10) |
| InChI Key | YCONGCXDKZXVQK-UHFFFAOYSA-N |
| MDL Number | MFCD31665491 |
| Molecular Formula | C7H7ClO5S |
| Molecular Weight | 238.6455 |
| SMILES | CC1=C(C(O)=O)C(C)=C(S(Cl)(=O)=O)O1 |
| Synonyms | 5-(chlorosulfonyl)-2,4-dimethylfuran-3-carboxylic acid,
1507321-63-2,
SCHEMBL7093322,
|
| 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 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number