| CAS Number | 869464-85-7 |
| Catalog Number | AG019ONJ |
| Chemical Name | 4-Chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid |
| IUPAC Name | 4-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid |
| InChI | InChI=1S/C11H10ClNO3/c12-7-3-4-8(11(15)16)9(6-7)13-5-1-2-10(13)14/h3-4,6H,1-2,5H2,(H,15,16) |
| InChI Key | ZHYKUDYDCHFXRN-UHFFFAOYSA-N |
| MDL Number | MFCD07345578 |
| Molecular Formula | C11H10ClNO3 |
| Molecular Weight | 239.6550 |
| SMILES | O=C(O)C1=CC=C(Cl)C=C1N2C(CCC2)=O |
| Synonyms | 4-chloro-2-(2-oxopyrrolidin-1-yl)benzoic Acid,
869464-85-7,
AC1OFKAU,
AC1Q722G,
CTK6G8597,
ZINC4218429,
AKOS000118389,
MCULE-7773426877,
NE61137,
EN300-14616,
CID7130938,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.655g/mol |
| Monoisotopic Mass | 239.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number