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Methyl (4S)-6-Chloro-4-(Cyclopropylethynyl)-2-Oxo-4-(Trifluoromethyl)-2H-3,1-Benzoxazine-1(4H)-Carboxylate
[CAS# 211563-40-5]

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Identification
Name Methyl (4S)-6-Chloro-4-(Cyclopropylethynyl)-2-Oxo-4-(Trifluoromethyl)-2H-3,1-Benzoxazine-1(4H)-Carboxylate
Synonyms [4-Chloro-2-[(1S)-3-cyclopropyl-1-hydroxy-1-(trifluoromethyl)-2-propynyl)phenyl]carbamic Acid Methyl Ester
Molecular Structure CAS#: 211563-40-5, Methyl (4S)-6-Chloro-4-(Cyclopropylethynyl)-2-Oxo-4-(Trifluoromethyl)-2H-3,1-Benzoxazine-1(4H)-Carboxylate
Molecular Formula C16H11ClF3NO4
Molecular Weight 373.71
CAS Registry Number 211563-40-5
SMILES COC(=O)N1c2ccc(cc2[C@@](OC1=O)(C#CC3CC3)C(F)(F)F)Cl
InChI 1S/C16H11ClF3NO4/c1-24-13(22)21-12-5-4-10(17)8-11(12)15(16(18,19)20,25-14(21)23)7-6-9-2-3-9/h4-5,8-9H,2-3H2,1H3/t15-/m0/s1
InChIKey FUIGCZIMCGAKPZ-HNNXBMFYSA-N
Properties
Density 1.56g/cm3 (Cal.)
Boiling point 427.446°C at 760 mmHg (Cal.)
Flash point 212.312°C (Cal.)
Refractive index 1.58 (Cal.)
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List of Reports Available for Methyl (4S)-6-Chloro-4-(Cyclopropylethynyl)-2-Oxo-4-(Trifluoromethyl)-2H-3,1-Benzoxazine-1(4H)-Carboxylate
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