L-Phenylalanine, 3-fluoro-4-nitro-

Base Information

• Chemical Name: L-Phenylalanine, 3-fluoro-4-nitro-
• CAS No.: 758671-33-9
• Molecular Formula: C9H9FN2O4
• Molecular Weight: 228.17700
• DSSTox Substance ID: DTXSID20446547
• Nikkaji Number: J807.456I
• Wikidata: Q82265231
• Mol file: 758671-33-9.mol

Synonyms:L-Phenylalanine, 3-fluoro-4-nitro-;758671-33-9;(2S)-2-amino-3-(3-fluoro-4-nitrophenyl)propanoic acid;(S)-2-amino-3-(3-fluoro-4-nitrophenyl)propanoic acid;3-Fluoro-4-nitro-L-phenylalanine;DTXSID20446547;AM9441

Chemical Property of L-Phenylalanine, 3-fluoro-4-nitro-

Chemical Property:

• Boiling Point: 420.7±45.0 °C(Predicted)
• PKA: 2.08±0.20(Predicted)
• PSA: 109.14000
• Density: 1.486±0.06 g/cm3(Predicted)
• LogP: 1.91180
• XLogP3: -2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 228.05463493
• Heavy Atom Count: 16
• Complexity: 281

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)F)[N+](=O)[O-]
• Isomeric SMILES: C1=CC(=C(C=C1C[C@@H](C(=O)O)N)F)[N+](=O)[O-]