| CAS Number | 1183308-29-3 |
| Catalog Number | AG019GYD |
| Chemical Name | 3-Bromo-5-(chlorosulfonyl)benzoic acid |
| IUPAC Name | 3-bromo-5-chlorosulfonylbenzoic acid |
| InChI | InChI=1S/C7H4BrClO4S/c8-5-1-4(7(10)11)2-6(3-5)14(9,12)13/h1-3H,(H,10,11) |
| InChI Key | IMAIAELPYHNWME-UHFFFAOYSA-N |
| MDL Number | MFCD09864394 |
| Molecular Formula | C7H4BrClO4S |
| Molecular Weight | 299.5263 |
| SMILES | OC(C1=CC(S(Cl)(=O)=O)=CC(Br)=C1)=O |
| Synonyms | 3-Bromo-5-(chlorosulfonyl)benzoic acid,
1183308-29-3,
AKOS009041161,
ZINC100428961,
NE30061,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.87g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.519g/mol |
| Monoisotopic Mass | 297.87g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number