3-(4-Chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid (CAS 404869-77-8) — formula C13H12ClNO2, molecular weight 249.69; category organic chemicals.
| CAS Number | 404869-77-8 |
|---|---|
| Molecular Formula | C13H12ClNO2 |
| Molecular Weight | 249.69 |
| LogP | 2.4 |
| Category | Organic Chemicals |
3-(4-Chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid is a carbon-based organic compound with CAS registry number 404869-77-8 and molecular formula C13H12ClNO2 (molecular weight 249.69), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 404869-77-8
Its molecular formula C13H12ClNO2 comprises 13 C, 12 H, 1 Cl, 1 N, 2 O atoms.
Also known as: 3-(4-Chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid · 3-(4-氯苯基)-3-(1H-吡咯-1-基)丙酸
Category: organic chemicals
The CAS registry number of 3-(4-Chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid is 404869-77-8.
Molecular formula C13H12ClNO2, molecular weight 249.69.
It is also registered under: 3-(4-Chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid, 3-(4-氯苯基)-3-(1H-吡咯-1-基)丙酸.
Category: Organic Chemicals.
Independent reference data for 3-(4-Chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid (CAS 404869-77-8), compiled from public chemistry databases.
| CAS 号 | 404869-77-8 |
|---|---|
| PubChem CID | 3245609 |
| 分子式 | C13H12ClNO2 |
| IUPAC 名称 | 3-(4-chlorophenyl)-3-pyrrol-1-ylpropanoic acid |
| UNII（FDA） | HMS2284J12 |
| Molecular Weight | 249.69 |
|---|---|
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 249.0556563 |
| Monoisotopic Mass | 249.0556563 |
| Topological Polar Surface Area | 42.2 |
| Heavy Atom Count | 17 |
3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid; 404869-77-8; MFCD04060717; 3-(4-chlorophenyl)-3-pyrrol-1-ylpropanoic acid; SMR000025039; MLS000090429; CHEMBL1306364; HMS2284J12; ALBB-030857; STK682757; AKOS000345399; AKOS022019968; ST098588; VS-12729; 3-(4-chlorophenyl)-3-pyrrolylpropanoic acid; CS-0270793
3-(4-氯苯基)-3-(1H-吡咯-1-基)丙酸 · CAS 404869-77-8 · C13H12ClNO2. UNII HMS2284J12.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.