(S)-methyl-3-acetamido-3-(4-chlorophenyl)-propanoate

Base Information

• Chemical Name: (S)-methyl-3-acetamido-3-(4-chlorophenyl)-propanoate
• CAS No.: 434957-75-2
• Molecular Formula: C12H14ClNO3
• Molecular Weight: 255.70
• DSSTox Substance ID: DTXSID50464456
• Nikkaji Number: J1.740.136J
• Wikidata: Q72486446
• Mol file: 434957-75-2.mol

Synonyms:434957-75-2;(S)-methyl-3-acetamido-3-(4-chlorophenyl)-propanoate;methyl (3S)-3-acetamido-3-(4-chlorophenyl)propanoate;Benzenepropanoic acid, b-(acetylamino)-4-chloro-, methylester, (betaS)-;AC-1707;DTXSID50464456;AKOS015837742;Methyl(S)-3-acetamido-3-(4-chlorophenyl)propanoate

Chemical Property of (S)-methyl-3-acetamido-3-(4-chlorophenyl)-propanoate

Chemical Property:

• Vapor Pressure: 8.63E-08mmHg at 25°C
• Refractive Index: 1.526
• Boiling Point: 435.6 °C at 760 mmHg
• Flash Point: 217.3 °C
• PSA: 55.40000
• Density: 1.215 g/cm³
• LogP: 2.47120
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 255.0662210
• Heavy Atom Count: 17
• Complexity: 275

Purity/Quality:

98%min ^*data from raw suppliers

(S)-METHYL-3-ACETAMIDO-3-(4-CHLOROPHENYL)-PROPANOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)NC(CC(=O)OC)C1=CC=C(C=C1)Cl
• Isomeric SMILES: CC(=O)N[C@@H](CC(=O)OC)C1=CC=C(C=C1)Cl