| CAS Number | 1042437-09-1 |
| Catalog Number | AG01AA98 |
| Chemical Name | 3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic Acid |
| IUPAC Name | 3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C11H10ClNO3S/c12-8-3-1-7(2-4-8)10(14)13-6-17-5-9(13)11(15)16/h1-4,9H,5-6H2,(H,15,16) |
| InChI Key | SUAAPVQQVPKSHG-UHFFFAOYSA-N |
| MDL Number | MFCD03015442 |
| Molecular Formula | C11H10ClNO3S |
| Molecular Weight | 271.7200 |
| SMILES | OC(C1N(C(C2=CC=C(Cl)C=C2)=O)CSC1)=O |
| Synonyms | 3-(4-chlorobenzoyl)-1,3-thiazolidine-4-carboxylic Acid,
1042437-09-1,
3-[(4-chlorophenyl)carbonyl]-1,3-thiazolidine-4-carboxylic acid,
AC1NCS9T,
AC1Q74R0,
AKOS000191424,
MCULE-8532845739,
NE27513,
ST51024142,
EN300-67525,
Z1178484479,
CID4563894,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.715g/mol |
| Monoisotopic Mass | 271.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number