Methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate

Base Information

• Chemical Name: Methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate
• CAS No.: 80769-52-4
• Molecular Formula: C16H16 Cl N O3
• Molecular Weight: 305.75614
• European Community (EC) Number: 279-542-7
• DSSTox Substance ID: DTXSID601001489
• Nikkaji Number: J320.307G
• Wikidata: Q82995422
• Mol file: 80769-52-4.mol

Synonyms:80769-52-4;Methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate;EINECS 279-542-7;Zomepirac methyl derivative;SCHEMBL9030622;DTXSID601001489;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-Chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetic acid methyl ester

Chemical Property of Methyl 5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrole-2-acetate

Chemical Property:

• Vapor Pressure: 1.7E-07mmHg at 25°C
• Boiling Point: 426.9°C at 760 mmHg
• Flash Point: 212°C
• PSA: 48.30000
• Density: 1.21g/cm³
• LogP: 2.93340
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 305.0818711
• Heavy Atom Count: 21
• Complexity: 393

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N(C(=C1)CC(=O)OC)C)C(=O)C2=CC=C(C=C2)Cl