| CAS Number | 1157673-11-4 |
| Catalog Number | AG01ADKF |
| Chemical Name | 4-Bromo-2-chloro-5-(chlorosulfonyl)benzoic acid |
| IUPAC Name | 4-bromo-2-chloro-5-chlorosulfonylbenzoic acid |
| InChI | InChI=1S/C7H3BrCl2O4S/c8-4-2-5(9)3(7(11)12)1-6(4)15(10,13)14/h1-2H,(H,11,12) |
| InChI Key | FOWOBHZVWQZCQN-UHFFFAOYSA-N |
| MDL Number | MFCD12065403 |
| Molecular Formula | C7H3BrCl2O4S |
| Molecular Weight | 333.9713 |
| SMILES | O=C(O)C1=CC(S(=O)(Cl)=O)=C(Br)C=C1Cl |
| Synonyms | 4-bromo-2-chloro-5-(chlorosulfonyl)benzoic acid,
1157673-11-4,
SCHEMBL6551060,
ZINC100494360,
NE15383,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.831g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.961g/mol |
| Monoisotopic Mass | 331.831g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number