| CAS Number | 172461-89-1 |
| Catalog Number | AG019MQ0(AGN-PC-0WO2C9) |
| Chemical Name | 5-Bromo-4-(chlorosulfonyl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-bromo-4-chlorosulfonylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C5H2BrClO4S2/c6-4-3(13(7,10)11)1-2(12-4)5(8)9/h1H,(H,8,9) |
| InChI Key | LCYRDCXUIXGVGL-UHFFFAOYSA-N |
| MDL Number | MFCD11099459 |
| Molecular Formula | C5H2BrClO4S2 |
| Molecular Weight | 305.5540 |
| SMILES | OC(C1SC(Br)=C(S(Cl)(=O)=O)C=1)=O |
| Synonyms | 5-bromo-4-(chlorosulfonyl)thiophene-2-carboxylic acid,
172461-89-1,
AC1Q72RC,
SCHEMBL6964654,
CTK7J1339,
LCYRDCXUIXGVGL-UHFFFAOYSA-N,
AKOS026726841,
ZINC100573212,
NE14869,
EN300-36917,
5-bromo-4-chlorosulfonylthiophene-2-carboxylic acid,
5-Bromo-4-(chlorosulfonyl)-2-thiophenecarboxylic acid,
|
| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.827g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.541g/mol |
| Monoisotopic Mass | 303.827g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number