| CAS Number | 1565451-30-0 |
| Catalog Number | AG01B9US |
| Chemical Name | ethyl 5-(chlorosulfonyl)-4-fluoro-2-methylbenzoate |
| IUPAC Name | ethyl 5-chlorosulfonyl-4-fluoro-2-methylbenzoate |
| InChI | InChI=1S/C10H10ClFO4S/c1-3-16-10(13)7-5-9(17(11,14)15)8(12)4-6(7)2/h4-5H,3H2,1-2H3 |
| InChI Key | MGHBASTXVIYNBO-UHFFFAOYSA-N |
| MDL Number | MFCD26862937 |
| Molecular Formula | C10H10ClFO4S |
| Molecular Weight | 280.7004 |
| SMILES | CCOC(C1=C(C)C=C(F)C(S(Cl)(=O)=O)=C1)=O |
| Synonyms | ethyl 5-(chlorosulfonyl)-4-fluoro-2-methylbenzoate,
1565451-30-0,
ZINC159859887,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.694g/mol |
| Monoisotopic Mass | 279.997g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number