| CAS Number | 1567126-27-5 |
| Catalog Number | AG01C32C |
| Chemical Name | ethyl 4-bromo-3-(chlorosulfonyl)-5-methylbenzoate |
| IUPAC Name | ethyl 4-bromo-3-chlorosulfonyl-5-methylbenzoate |
| InChI | InChI=1S/C10H10BrClO4S/c1-3-16-10(13)7-4-6(2)9(11)8(5-7)17(12,14)15/h4-5H,3H2,1-2H3 |
| InChI Key | QNGFZMBNQKGMAH-UHFFFAOYSA-N |
| MDL Number | MFCD26856203 |
| Molecular Formula | C10H10BrClO4S |
| Molecular Weight | 341.6060 |
| SMILES | CCOC(C1=CC(S(Cl)(=O)=O)=C(Br)C(C)=C1)=O |
| Synonyms | ethyl 4-bromo-3-(chlorosulfonyl)-5-methylbenzoate,
1567126-27-5,
ZINC132056193,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.917g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.6g/mol |
| Monoisotopic Mass | 339.917g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number