| CAS Number | 926264-75-7 |
| Catalog Number | AG019UO5 |
| Chemical Name | 3-(Chlorosulfonyl)-5-fluoro-4-methylbenzoic acid |
| IUPAC Name | 3-chlorosulfonyl-5-fluoro-4-methylbenzoic acid |
| InChI | InChI=1S/C8H6ClFO4S/c1-4-6(10)2-5(8(11)12)3-7(4)15(9,13)14/h2-3H,1H3,(H,11,12) |
| InChI Key | DIXGDMOYQRKMCG-UHFFFAOYSA-N |
| MDL Number | MFCD09048176 |
| Molecular Formula | C8H6ClFO4S |
| Molecular Weight | 252.6472 |
| SMILES | CC1=C(S(Cl)(=O)=O)C=C(C(O)=O)C=C1F |
| Synonyms | 3-(chlorosulfonyl)-5-fluoro-4-methylbenzoic acid,
926264-75-7,
AC1Q2EET,
3-Fluoro-4-methyl-5-(chlorosulfonyl)benzoic acid,
CTK7I6951,
AKOS000131802,
ZINC100513195,
MCULE-4801872509,
NE30760,
EN300-42272,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.64g/mol |
| Monoisotopic Mass | 251.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number