| CAS Number | 938267-73-3 |
| Catalog Number | AG01AB6J |
| Chemical Name | 2-[(2-chlorophenyl)sulfanyl]-2-phenylacetic acid |
| IUPAC Name | 2-(2-chlorophenyl)sulfanyl-2-phenylacetic acid |
| InChI | InChI=1S/C14H11ClO2S/c15-11-8-4-5-9-12(11)18-13(14(16)17)10-6-2-1-3-7-10/h1-9,13H,(H,16,17) |
| InChI Key | QQJTUABAACBWNM-UHFFFAOYSA-N |
| MDL Number | MFCD09715740 |
| Molecular Formula | C14H11ClO2S |
| Molecular Weight | 278.7539 |
| SMILES | OC(C(C1=CC=CC=C1)SC1=C(Cl)C=CC=C1)=O |
| Synonyms | 2-[(2-chlorophenyl)sulfanyl]-2-phenylacetic acid,
938267-73-3,
AC1Q71VD,
AKOS000199453,
AKOS016874452,
MCULE-9516858097,
NE26340,
EN300-70613,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.75g/mol |
| Monoisotopic Mass | 278.017g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number