| CAS Number | 926270-90-8 |
| Catalog Number | AG019M76 |
| Chemical Name | 5-(Chlorosulfonyl)-2-hydroxy-4-methylbenzoic acid |
| IUPAC Name | 5-chlorosulfonyl-2-hydroxy-4-methylbenzoic acid |
| InChI | InChI=1S/C8H7ClO5S/c1-4-2-6(10)5(8(11)12)3-7(4)15(9,13)14/h2-3,10H,1H3,(H,11,12) |
| InChI Key | NYXCIPXHNVJEIO-UHFFFAOYSA-N |
| MDL Number | MFCD09043525 |
| Molecular Formula | C8H7ClO5S |
| Molecular Weight | 250.6562 |
| SMILES | CC1=C(S(Cl)(=O)=O)C=C(C(O)=O)C(O)=C1 |
| Synonyms | 5-(chlorosulfonyl)-2-hydroxy-4-methylbenzoic acid,
926270-90-8,
AC1Q2EC1,
SCHEMBL10933704,
CTK7I6660,
AKOS000127358,
ZINC100504250,
MCULE-1495140527,
NE62451,
EN300-35199,
5-(chlorosulfonyl)-2-hydroxy-4-methylbenzoic acid, AldrichCPR,
|
| 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