| CAS Number | 1000932-93-3 |
| Catalog Number | AG019LCV |
| Chemical Name | Ethyl 3-bromo-4-(chlorosulfonyl)benzoate |
| IUPAC Name | ethyl 3-bromo-4-chlorosulfonylbenzoate |
| InChI | InChI=1S/C9H8BrClO4S/c1-2-15-9(12)6-3-4-8(7(10)5-6)16(11,13)14/h3-5H,2H2,1H3 |
| InChI Key | ORRSZYNOLXITNI-UHFFFAOYSA-N |
| MDL Number | MFCD09863420 |
| Molecular Formula | C9H8BrClO4S |
| Molecular Weight | 327.5794 |
| SMILES | BrC=1C=C(C(=O)OCC)C=CC1S(=O)(=O)Cl |
| Synonyms | ethyl 3-bromo-4-(chlorosulfonyl)benzoate,
1000932-93-3,
AC1Q33XD,
CTK6F6209,
AKOS009175835,
ZINC100567602,
MCULE-5626718292,
NE14560,
EN300-30809,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.902g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.573g/mol |
| Monoisotopic Mass | 325.902g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number