(2S)-2-Amino-3-(2,6-Difluoro-3,4-Dihydroxyphenyl)Propanoic Acid
[CAS# 128812-04-4]

Identification

• Name: (2S)-2-Amino-3-(2,6-Difluoro-3,4-Dihydroxyphenyl)Propanoic Acid
• Synonyms: (2S)-2-Amino-3-(2,6-Difluoro-3,4-Dihydroxy-Phenyl)Propanoic Acid; (2S)-2-Amino-3-(2,6-Difluoro-3,4-Dihydroxy-Phenyl)Propionic Acid; 2,6-(18F)-Difluoro-Dopa
• Molecular Formula: C₉H₉F₂NO₄
• Molecular Weight: 233.17
• CAS Registry Number: 128812-04-4
• SMILES: [C@H](N)(CC1=C(F)C(=C(O)C=C1F)O)C(=O)O
• InChI: 1S/C9H9F2NO4/c10-4-2-6(13)8(14)7(11)3(4)1-5(12)9(15)16/h2,5,13-14H,1,12H2,(H,15,16)/t5-/m0/s1
• InChIKey: MXGWBDJFLGLWLW-YFKPBYRVSA-N

Properties

• Density: 1.634g/cm³ (Cal.)
• Boiling point: 439.934°C at 760 mmHg (Cal.)
• Flash point: 219.864°C (Cal.)