| CAS Number | 1306604-23-8 |
| Catalog Number | AG01AIJF(AGN-PC-0WO3UD) |
| Chemical Name | 4-bromo-5-(chlorosulfonyl)thiophene-2-carboxylic acid |
| IUPAC Name | 4-bromo-5-chlorosulfonylthiophene-2-carboxylic acid |
| InChI | InChI=1S/C5H2BrClO4S2/c6-2-1-3(4(8)9)12-5(2)13(7,10)11/h1H,(H,8,9) |
| InChI Key | ACJJEKZMVLHHTQ-UHFFFAOYSA-N |
| MDL Number | MFCD18839112 |
| Molecular Formula | C5H2BrClO4S2 |
| Molecular Weight | 305.5540 |
| SMILES | OC(C1SC(S(Cl)(=O)=O)=C(Br)C=1)=O |
| Synonyms | 4-bromo-5-(chlorosulfonyl)thiophene-2-carboxylic acid,
1306604-23-8,
AKOS026727336,
ZINC100633211,
NE16391,
EN300-78001,
|
| 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