3-(3-Fluorobenzoyl)-1H-pyrrole

Base Information

• Chemical Name: 3-(3-Fluorobenzoyl)-1H-pyrrole
• CAS No.: 893612-64-1
• Molecular Formula: C11H8 F N O
• Molecular Weight: 189.1857232
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID00587523
• Wikidata: Q82479977
• Mol file: 893612-64-1.mol

Synonyms:893612-64-1;3-(3-Fluorobenzoyl)-1H-pyrrole;(3-fluorophenyl)-(1H-pyrrol-3-yl)methanone;Methanone,(3-fluorophenyl)-1H-pyrrol-3-yl-;(3-Fluoro-phenyl)-(1H-pyrrol-3-yl)-methanone;MFCD08056193;(3-Fluorophenyl)(1H-pyrrol-3-yl)methanone;DTXSID00587523;AKOS005256845;MCULE-2508788245;(3-Fluorophenyl)-(1H-pyrrol-3-yl)-methanone;A843143;(3-Fluoro-phenyl)-(1H-pyrrol-3-yl)-methanone, AldrichCPR

Chemical Property of 3-(3-Fluorobenzoyl)-1H-pyrrole

Chemical Property:

• Vapor Pressure: 4.94E-05mmHg at 25°C
• Refractive Index: 1.587
• Boiling Point: 348.7°C at 760 mmHg
• Flash Point: 164.7°C
• PSA: 32.86000
• Density: 1.26g/cm³
• LogP: 2.38480
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 189.058992041
• Heavy Atom Count: 14
• Complexity: 219

Purity/Quality:

NLT 98% ^*data from raw suppliers

3-(3-Fluorobenzoyl)-1H-pyrrole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)C(=O)C2=CNC=C2