| CAS Number | 926214-03-1 |
| Catalog Number | AG019W5Y |
| Chemical Name | 3-(Chlorosulfonyl)-2-hydroxy-5-methylbenzoic acid |
| IUPAC Name | 3-chlorosulfonyl-2-hydroxy-5-methylbenzoic acid |
| InChI | InChI=1S/C8H7ClO5S/c1-4-2-5(8(11)12)7(10)6(3-4)15(9,13)14/h2-3,10H,1H3,(H,11,12) |
| InChI Key | IOIVRGPONCBMQY-UHFFFAOYSA-N |
| MDL Number | MFCD09042926 |
| Molecular Formula | C8H7ClO5S |
| Molecular Weight | 250.6562 |
| SMILES | O=C(O)C1=CC(C)=CC(S(=O)(Cl)=O)=C1O |
| Synonyms | 3-(chlorosulfonyl)-2-hydroxy-5-methylbenzoic acid,
926214-03-1,
AC1Q2GUJ,
SCHEMBL10935876,
CTK6B4288,
AKOS000127287,
ZINC100504099,
EN300-50635,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.649g/mol |
| Monoisotopic Mass | 249.97g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 100A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number