| CAS Number | 924871-96-5 |
| Catalog Number | AG01BCUX |
| Chemical Name | ethyl 3-(chlorosulfonyl)-4-methylbenzoate |
| IUPAC Name | ethyl 3-chlorosulfonyl-4-methylbenzoate |
| InChI | InChI=1S/C10H11ClO4S/c1-3-15-10(12)8-5-4-7(2)9(6-8)16(11,13)14/h4-6H,3H2,1-2H3 |
| InChI Key | MBXNHYWLMGGEIV-UHFFFAOYSA-N |
| MDL Number | MFCD11057849 |
| Molecular Formula | C10H11ClO4S |
| Molecular Weight | 262.7099 |
| SMILES | CCOC(C1=CC(S(Cl)(=O)=O)=C(C)C=C1)=O |
| Synonyms | ethyl 3-(chlorosulfonyl)-4-methylbenzoate,
924871-96-5,
ZINC59233868,
AKOS002670989,
NE24634,
3-Chlorosulfonyl-4-methyl-benzoic acid ethyl ester,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.704g/mol |
| Monoisotopic Mass | 262.007g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number