ethyl 3-[(chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate

Base Information

• Chemical Name: ethyl 3-[(chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate
• CAS No.: 1134334-58-9
• Molecular Formula: C13H12ClFN2O3
• Molecular Weight: 298.70
• DSSTox Substance ID: DTXSID301171536
• Mol file: 1134334-58-9.mol

Synonyms:ethyl 3-[(chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate;1134334-58-9;ethyl 3-[(2-chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate;1H-Indole-2-carboxylic acid, 3-[(2-chloroacetyl)amino]-5-fluoro-, ethyl ester;DTXSID301171536;STK504731;AKOS015850575

Chemical Property of ethyl 3-[(chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate

Chemical Property:

• PKA: 12.26±0.43(Predicted)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 298.0520481
• Heavy Atom Count: 20
• Complexity: 383

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl 3-[(chloroacetyl)amino]-5-fluoro-1H-indole-2-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)F)NC(=O)CCl