Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester
• CAS No.: 78079-55-7
• Molecular Formula: C21H17NO3
• Molecular Weight: 331.36500
• European Community (EC) Number: 651-643-4
• DSSTox Substance ID: DTXSID90356644
• Wikidata: Q82136125

Synonyms:78079-55-7;Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester;Oprea1_137686;Oprea1_838987;DTXSID90356644;AKOS000727669;4-methylphenyl 4-(benzoylamino)benzoate;BRD-K53488739-001-01-4

Chemical Property of Benzoic acid, 4-(benzoylamino)-, 4-methylphenyl ester

Chemical Property:

• PSA: 55.40000
• LogP: 4.53950
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 331.12084340
• Heavy Atom Count: 25
• Complexity: 442

Purity/Quality:

4-BENZOYLAMINO-BENZOIC ACID P-TOLYL ESTER Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3

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