| CAS Number | 1397285-28-7 |
| Catalog Number | AG01BR6F |
| Chemical Name | 5-Bromo-2-formylthiophene-3-carboxylic acid |
| IUPAC Name | 5-bromo-2-formylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H3BrO3S/c7-5-1-3(6(9)10)4(2-8)11-5/h1-2H,(H,9,10) |
| InChI Key | WZBAFVKLYDTWBZ-UHFFFAOYSA-N |
| MDL Number | MFCD31617209 |
| Molecular Formula | C6H3BrO3S |
| Molecular Weight | 235.0552 |
| SMILES | OC(C1=C(C=O)SC(Br)=C1)=O |
| Synonyms | 5-bromo-2-formylthiophene-3-carboxylic acid,
1397285-28-7,
SCHEMBL15401503,
WZBAFVKLYDTWBZ-UHFFFAOYSA-N,
5-bromo-2-formyl-3-thiophenecarboxylic acid,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.899g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.051g/mol |
| Monoisotopic Mass | 233.899g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number