| CAS Number | 1247788-58-4 |
| Catalog Number | AG01EK7A |
| Chemical Name | 2-[2-(5-chlorothiophen-2-yl)ethoxy]acetic acid |
| IUPAC Name | 2-[2-(5-chlorothiophen-2-yl)ethoxy]acetic acid |
| InChI | InChI=1S/C8H9ClO3S/c9-7-2-1-6(13-7)3-4-12-5-8(10)11/h1-2H,3-5H2,(H,10,11) |
| InChI Key | JZLXDEBFOGAZGZ-UHFFFAOYSA-N |
| MDL Number | MFCD14620639 |
| Molecular Formula | C8H9ClO3S |
| Molecular Weight | 220.6733 |
| SMILES | OC(COCCC1SC(Cl)=CC=1)=O |
| Synonyms | AKOS010582430,
2-[2-(5-chlorothiophen-2-yl)ethoxy]acetic acid,
1247788-58-4,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.667g/mol |
| Monoisotopic Mass | 219.996g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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