| CAS Number | 1247800-38-9 |
| Catalog Number | AG01EL4F |
| Chemical Name | 3-(3-Bromothiophen-2-yl)propanoic acid |
| IUPAC Name | 3-(3-bromothiophen-2-yl)propanoic acid |
| InChI | InChI=1S/C7H7BrO2S/c8-5-3-4-11-6(5)1-2-7(9)10/h3-4H,1-2H2,(H,9,10) |
| InChI Key | BKUHZTRYWRRUTA-UHFFFAOYSA-N |
| MDL Number | MFCD16155293 |
| Molecular Formula | C7H7BrO2S |
| Molecular Weight | 235.0983 |
| SMILES | O=C(O)CCC1=C(Br)C=CS1 |
| Synonyms | 3-(3-bromothiophen-2-yl)propanoic acid,
AKOS010998454,
1247800-38-9,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.095g/mol |
| Monoisotopic Mass | 233.935g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number