| CAS Number | 89793-51-1 |
| Catalog Number | AG01AJRL(AGN-PC-0WOAW8) |
| Chemical Name | 3-(4-chlorothiophen-2-yl)propanoic acid |
| IUPAC Name | 3-(4-chlorothiophen-2-yl)propanoic acid |
| InChI | InChI=1S/C7H7ClO2S/c8-5-3-6(11-4-5)1-2-7(9)10/h3-4H,1-2H2,(H,9,10) |
| InChI Key | AGGRDDNHSGUWGK-UHFFFAOYSA-N |
| MDL Number | MFCD18324747 |
| Molecular Formula | C7H7ClO2S |
| Molecular Weight | 190.6473 |
| SMILES | C(CC(=O)O)C1=CC(=CS1)Cl |
| Synonyms | 3-(4-chlorothiophen-2-yl)propanoic acid,
89793-51-1,
ZINC62709812,
AKOS017498094,
NE37703,
EN300-81791,
Z234898661,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.641g/mol |
| Monoisotopic Mass | 189.986g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 65.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number