methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate (CAS 80769-52-4) — formula C16H16ClNO3, molecular weight 305.75; category organic chemicals.
| CAS Number | 80769-52-4 |
|---|---|
| Molecular Formula | C16H16ClNO3 |
| Molecular Weight | 305.75 |
| LogP | 3.2 |
| Category | Organic Chemicals |
methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate is a carbon-based organic compound with CAS registry number 80769-52-4 and molecular formula C16H16ClNO3 (molecular weight 305.75), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 80769-52-4
Its molecular formula C16H16ClNO3 comprises 16 C, 16 H, 1 Cl, 1 N, 3 O atoms.
Also known as: methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate · 5-(4-氯苯甲酰基)-1,4-二甲基-1H-吡咯-2-乙酸甲酯
Category: organic chemicals
The CAS registry number of methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate is 80769-52-4.
Molecular formula C16H16ClNO3, molecular weight 305.75.
It is also registered under: methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate, 5-(4-氯苯甲酰基)-1,4-二甲基-1H-吡咯-2-乙酸甲酯.
Category: Organic Chemicals.
Independent reference data for methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate (CAS 80769-52-4), compiled from public chemistry databases.
| CAS 号 | 80769-52-4 |
|---|---|
| PubChem CID | 618916 |
| 分子式 | C16H16ClNO3 |
| IUPAC 名称 | methyl 2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate |
| UNII（FDA） | NS00060867 |
| Molecular Weight | 305.75 |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 305.0818711 |
| Monoisotopic Mass | 305.0818711 |
| Topological Polar Surface Area | 48.3 |
| Heavy Atom Count | 21 |
80769-52-4; Methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate; EINECS 279-542-7; Zomepirac methyl derivative; SCHEMBL9030622; DTXSID601001489; DB-431394; NS00060867; Methyl [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate; Methyl [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetate #; 1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-1,4-dimethyl-, methyl ester
5-(4-氯苯甲酰基)-1,4-二甲基-1H-吡咯-2-乙酸甲酯 · CAS 80769-52-4 · C16H16ClNO3. UNII NS00060867.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.