N-[4-(2-Bromo-4,5-difluorophenoxy)phenyl]-L-asparagine
[CAS# 868359-05-1]

Identification

• Name: N-[4-(2-Bromo-4,5-difluorophenoxy)phenyl]-L-asparagine
• Synonyms: N-[4-(2-Bromo-4,5-difluorophenoxy)phenyl]-L-asparagine; WAY 213613; WAY-213613
• Molecular Formula: C₁₆H₁₃BrF₂N₂O₄
• Molecular Weight: 415.19
• CAS Registry Number: 868359-05-1
• SMILES: C1=CC(=CC=C1NC(=O)C[C@@H](C(=O)O)N)OC2=CC(=C(C=C2Br)F)F
• InChI: 1S/C16H13BrF2N2O4/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24/h1-6,13H,7,20H2,(H,21,22)(H,23,24)/t13-/m0/s1
• InChIKey: BNYDDAAZMBUFRG-ZDUSSCGKSA-N

Properties

• Density: 1.7±0.1g/cm³ (Cal.)
• Boiling point: 565.6±50.0°C at 760 mmHg (Cal.)
• Flash point: 295.9±30.1°C (Cal.)
• Refractive index: 1.632 (Cal.)
• solubility: Soluble to 100 mM in 1eq. NaOH and to 100 mM in DMSO