| CAS Number | 99585-15-6 |
| Catalog Number | AG019VVG(AGN-PC-0160LH) |
| Chemical Name | 2-[(2-Chlorophenyl)sulfanyl]propanoic acid |
| IUPAC Name | 2-(2-chlorophenyl)sulfanylpropanoic acid |
| InChI | InChI=1S/C9H9ClO2S/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12) |
| InChI Key | IEIAJSOBRQNLOX-UHFFFAOYSA-N |
| MDL Number | MFCD09710790 |
| Molecular Formula | C9H9ClO2S |
| Molecular Weight | 216.6846 |
| SMILES | CC(C(O)=O)SC1=C(Cl)C=CC=C1 |
| Synonyms | 2-[(2-chlorophenyl)sulfanyl]propanoic acid,
99585-15-6,
AC1Q2C44,
SCHEMBL9849304,
CTK7I5192,
AKOS000138131,
AKOS017268721,
MCULE-1204813202,
NE17356,
NCGC00339272-01,
EN300-49626,
AB01331778-02,
Z56278782,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number