| CAS Number | 351493-11-3 |
| Catalog Number | AG01EKB6 |
| Chemical Name | 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C10H10ClNO3S/c11-8-4-3-7(16-8)9(13)12-5-1-2-6(12)10(14)15/h3-4,6H,1-2,5H2,(H,14,15) |
| InChI Key | TVIXLMZTSWAKCN-UHFFFAOYSA-N |
| MDL Number | MFCD11646896 |
| Molecular Formula | C10H10ClNO3S |
| Molecular Weight | 259.7093 |
| SMILES | OC(C1N(C(C2SC(Cl)=CC=2)=O)CCC1)=O |
| Synonyms | 1-(5-chlorothiophene-2-carbonyl)pyrrolidine-2-carboxylic acid,
1-[(5-chlorothiophen-2-yl)carbonyl]pyrrolidine-2-carboxylic acid,
AC1Q74J6,
SCHEMBL6290809,
CTK7I9627,
AKOS008039201,
MCULE-2730373611,
NE52655,
EN300-52369,
Z85891171,
351493-11-3,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.704g/mol |
| Monoisotopic Mass | 259.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number