3-(2-(4-Nitrophenyl)-2-oxoethyl)quinazolin-4(3H)-one

Base Information

• Chemical Name: 3-(2-(4-Nitrophenyl)-2-oxoethyl)quinazolin-4(3H)-one
• CAS No.: 90059-71-5
• Molecular Formula: C16H11N3O4
• Molecular Weight: 309.27600
• DSSTox Substance ID: DTXSID60523083
• Wikidata: Q82388889
• Mol file: 90059-71-5.mol

Synonyms:90059-71-5;3-(2-(4-Nitrophenyl)-2-oxoethyl)quinazolin-4(3H)-one;3-[2-(4-Nitrophenyl)-2-oxoethyl]quinazolin-4(3H)-one;3-[2-(4-nitrophenyl)-2-oxoethyl]-3,4-dihydroquinazolin-4-one;DTXSID60523083

Chemical Property of 3-(2-(4-Nitrophenyl)-2-oxoethyl)quinazolin-4(3H)-one

Chemical Property:

• PSA: 97.78000
• LogP: 2.71080
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 309.07495584
• Heavy Atom Count: 23
• Complexity: 520

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]