3-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid

Base Information

• Chemical Name: 3-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid
• CAS No.: 887586-26-7
• Molecular Formula: C11H11 F N2 O2
• Molecular Weight: 222.22
• DSSTox Substance ID: DTXSID80697295
• Mol file: 887586-26-7.mol

Synonyms:887586-26-7;3-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid;DTXSID80697295;AMYLXANTHICACIDPOTASSIUMSALT;EN300-1849529;3-amino-3-(4-fluoro-1H-indol-3-yl)propanoicacid

Chemical Property of 3-amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid

Chemical Property:

• PSA: 79.11000
• LogP: 2.48180
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 222.08045576
• Heavy Atom Count: 16
• Complexity: 275

Purity/Quality:

99%+ ^*data from raw suppliers

3-Amino-3-(4-fluoro-indol-3-yl)-propionicacid 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)F)C(=CN2)C(CC(=O)O)N

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