4-[(1R,2R)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxy-1-(4-Nitrophenyl)Propoxy]-4-Oxobutanoic Acid
[CAS# 75725-02-9]

Identification

• Name: 4-[(1R,2R)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxy-1-(4-Nitrophenyl)Propoxy]-4-Oxobutanoic Acid
• Synonyms: 4-[(1R,2R)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxy-1-(4-Nitrophenyl)Propoxy]-4-Oxo-Butanoic Acid; 4-[(1R,2R)-2-[(2,2-Dichloro-1-Oxoethyl)Amino]-3-Hydroxy-1-(4-Nitrophenyl)Propoxy]-4-Oxobutanoic Acid; 4-[(1R,2R)-2-[(2,2-Dichloroacetyl)Amino]-3-Hydroxy-1-(4-Nitrophenyl)Propoxy]-4-Keto-Butyric Acid
• Molecular Formula: C₁₅H₁₆Cl₂N₂O₈
• Molecular Weight: 423.21
• CAS Registry Number: 75725-02-9
• SMILES: [C@@H](OC(=O)CCC(=O)O)(C1=CC=C([N+]([O-])=O)C=C1)[C@H](NC(=O)C(Cl)Cl)CO
• InChI: 1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-20)13(27-12(23)6-5-11(21)22)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,20H,5-7H2,(H,18,24)(H,21,22)/t10-,13-/m1/s1
• InChIKey: VDKRBXTUCASQRA-ZWNOBZJWSA-N

Properties

• Density: 1.536g/cm³ (Cal.)
• Boiling point: 696.465°C at 760 mmHg (Cal.)
• Flash point: 375.009°C (Cal.)