1-(4-CHLOROBENZYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID (CAS 96449-92-2) — formula C12H12ClNO3, molecular weight 253.68; category organic chemicals.
| CAS Number | 96449-92-2 |
|---|---|
| Molecular Formula | C12H12ClNO3 |
| Molecular Weight | 253.68 |
| LogP | 1.1 |
| Category | Organic Chemicals |
1-(4-CHLOROBENZYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID is a carbon-based organic compound with CAS registry number 96449-92-2 and molecular formula C12H12ClNO3 (molecular weight 253.68), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 96449-92-2
Its molecular formula C12H12ClNO3 comprises 12 C, 12 H, 1 Cl, 1 N, 3 O atoms.
Also known as: 1-(4-CHLOROBENZYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID · 1-(4-氯苄基)-5-氧代吡咯烷-3-羧酸
Category: organic chemicals
The CAS registry number of 1-(4-CHLOROBENZYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID is 96449-92-2.
Molecular formula C12H12ClNO3, molecular weight 253.68.
It is also registered under: 1-(4-CHLOROBENZYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID, 1-(4-氯苄基)-5-氧代吡咯烷-3-羧酸.
Category: Organic Chemicals.
Independent reference data for 1-(4-CHLOROBENZYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID (CAS 96449-92-2), compiled from public chemistry databases.
| CAS 号 | 96449-92-2 |
|---|---|
| PubChem CID | 2739200 |
| 分子式 | C12H12ClNO3 |
| IUPAC 名称 | 1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid |
| UNII（FDA） | Z274780534 |
| Molecular Weight | 253.68 |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 253.0505709 |
| Monoisotopic Mass | 253.0505709 |
| Topological Polar Surface Area | 57.6 |
| Heavy Atom Count | 17 |
1-(4-chlorobenzyl)-5-oxopyrrolidine-3-carboxylic acid; 96449-92-2; 1-[(4-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid; MFCD00084925; CHEMBL188253; 3-Pyrrolidinecarboxylic acid, 1-[(4-chlorophenyl)methyl]-5-oxo-; Maybridge1_007284; 4-Carboxy-1-(4-Chlorobenzyl)Pyrrolidin-2-One; Oprea1_491656; 1-(4-chlorobenzyl)-5-oxo-3-pyrrolidinecarboxylic acid; SCHEMBL4740663; HMS562D02; DTXSID00372299; TUZRKETZXNMRCF-UHFFFAOYSA-N; 1-[(4-chlorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxylic acid; ALBB-018355
1-(4-氯苄基)-5-氧代吡咯烷-3-羧酸 · CAS 96449-92-2 · C12H12ClNO3. UNII Z274780534.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 1-(4-氯苄基)-5-氧代吡咯烷-3-羧酸