| CAS Number | 1523182-95-7 |
| Catalog Number | AG01ACZS(AGN-PC-0WO5YR) |
| Chemical Name | 5-Bromo-4-methylthiophene-3-carboxylic acid |
| IUPAC Name | 5-bromo-4-methylthiophene-3-carboxylic acid |
| InChI | InChI=1S/C6H5BrO2S/c1-3-4(6(8)9)2-10-5(3)7/h2H,1H3,(H,8,9) |
| InChI Key | GUDPKPJDKHTKEI-UHFFFAOYSA-N |
| MDL Number | MFCD24107252 |
| Molecular Formula | C6H5BrO2S |
| Molecular Weight | 221.0717 |
| SMILES | BrC1=C(C(=CS1)C(=O)O)C |
| Synonyms | 5-bromo-4-methylthiophene-3-carboxylic acid,
1523182-95-7,
SCHEMBL16212526,
GUDPKPJDKHTKEI-UHFFFAOYSA-N,
ZINC95883648,
AKOS020007278,
NE27001,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.919g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.068g/mol |
| Monoisotopic Mass | 219.919g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number