| CAS Number | 1344255-26-0 |
| Catalog Number | AG01AF3A |
| Chemical Name | 2-Chloro-6-(ethylsulfanyl)benzoic acid |
| IUPAC Name | 2-chloro-6-ethylsulfanylbenzoic acid |
| InChI | InChI=1S/C9H9ClO2S/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5H,2H2,1H3,(H,11,12) |
| InChI Key | KUIZBWAQTKRYDR-UHFFFAOYSA-N |
| MDL Number | MFCD16852948 |
| Molecular Formula | C9H9ClO2S |
| Molecular Weight | 216.6846 |
| SMILES | CCSC1=C(C(O)=O)C(Cl)=CC=C1 |
| Synonyms | 2-chloro-6-(ethylsulfanyl)benzoic acid,
1344255-26-0,
ZINC54553749,
AKOS011998436,
NE60241,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.679g/mol |
| Monoisotopic Mass | 216.001g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number