| CAS Number | 1016505-47-7 |
| Catalog Number | AG019WS0(AGN-PC-0WOCG9) |
| Chemical Name | 5-Bromo-4-(chlorosulfonyl)furan-2-carboxylic acid |
| IUPAC Name | 5-bromo-4-chlorosulfonylfuran-2-carboxylic acid |
| InChI | InChI=1S/C5H2BrClO5S/c6-4-3(13(7,10)11)1-2(12-4)5(8)9/h1H,(H,8,9) |
| InChI Key | BMHALDWUBWVPIK-UHFFFAOYSA-N |
| MDL Number | MFCD09803791 |
| Molecular Formula | C5H2BrClO5S |
| Molecular Weight | 289.4884 |
| SMILES | OC(C1OC(Br)=C(S(Cl)(=O)=O)C=1)=O |
| Synonyms | 5-bromo-4-(chlorosulfonyl)furan-2-carboxylic acid,
1016505-47-7,
AC1Q72RB,
CTK7J1236,
AKOS000164293,
ZINC100591200,
MCULE-7311245037,
NE37969,
EN300-52963,
|
| Complexity | 309 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.849g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.48g/mol |
| Monoisotopic Mass | 287.849g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 93A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number