| CAS Number | 99846-99-8 |
| Catalog Number | AG019VV5 |
| Chemical Name | 2-[(2,5-dichlorophenyl)sulfanyl]propanoic acid |
| IUPAC Name | 2-(2,5-dichlorophenyl)sulfanylpropanoic acid |
| InChI | InChI=1S/C9H8Cl2O2S/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H,12,13) |
| InChI Key | CHESPMUHLLVPAV-UHFFFAOYSA-N |
| MDL Number | MFCD09045008 |
| Molecular Formula | C9H8Cl2O2S |
| Molecular Weight | 251.1296 |
| SMILES | CC(C(O)=O)SC1=C(Cl)C=CC(Cl)=C1 |
| Synonyms | 2-[(2,5-dichlorophenyl)sulfanyl]propanoic acid,
99846-99-8,
AC1Q2C43,
CTK6A3483,
AKOS000128765,
AKOS017268694,
MCULE-8506686944,
NE14164,
EN300-49613,
Z56279684,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.962g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.121g/mol |
| Monoisotopic Mass | 249.962g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number