N-(2-Chlorobenzyl)-3-oxobutanamide

Base Information

• Chemical Name: N-(2-Chlorobenzyl)-3-oxobutanamide
• CAS No.: 331713-76-9
• Molecular Formula: C11H12ClNO2
• Molecular Weight: 225.67
• DSSTox Substance ID: DTXSID20355645
• Wikidata: Q82134660

Synonyms:N-(2-CHLOROBENZYL)-3-OXOBUTANAMIDE;331713-76-9;N-[(2-chlorophenyl)methyl]-3-oxobutanamide;CHEMBRDG-BB 6085082;CBMicro_048672;SCHEMBL23933076;DTXSID20355645;MFCD01001288;AKOS000165674;BS-37723;BIM-0048893.P001;CS-0362089

Chemical Property of N-(2-Chlorobenzyl)-3-oxobutanamide

Chemical Property:

• Vapor Pressure: 1.63E-07mmHg at 25°C
• PKA: 11.46±0.46(Predicted)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 225.0556563
• Heavy Atom Count: 15
• Complexity: 243

Purity/Quality:

N-(2-chlorobenzyl)-3-oxobutanamide ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=O)CC(=O)NCC1=CC=CC=C1Cl

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