| CAS Number | 22098-18-6 |
| Catalog Number | AG01C1KH(AGN-PC-0QYP9G) |
| Chemical Name | 2-(5-Bromothiophen-2-yl)-2-oxoacetic acid |
| IUPAC Name | 2-(5-bromothiophen-2-yl)-2-oxoacetic acid |
| InChI | InChI=1S/C6H3BrO3S/c7-4-2-1-3(11-4)5(8)6(9)10/h1-2H,(H,9,10) |
| InChI Key | YLMOPFHUYOWWOX-UHFFFAOYSA-N |
| MDL Number | MFCD12786265 |
| Molecular Formula | C6H3BrO3S |
| Molecular Weight | 235.0552 |
| SMILES | OC(C(C1SC(Br)=CC=1)=O)=O |
| Synonyms | 22098-18-6,
2-(5-bromothiophen-2-yl)-2-oxoacetic acid,
5-Bromothiophene 2-Oxoacetic Acid,
2-(5-bromothien-2-yl)glyoxylic acid,
SCHEMBL2820847,
YLMOPFHUYOWWOX-UHFFFAOYSA-N,
5-bromothiophen-2-yl glyoxylic acid,
ZINC34300876,
2-(5-bromothien-2-yl)glyoxalic acid,
AKOS010336049,
(5-Bromothiophen-2-yl)-oxo-acetic acid,
(5-bromo-thiophen-2-yl)-oxo-acetic acid,
|
| Complexity | 194 |
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number