52044-90-3
2,2,2-TRIFLUORO-1-[5-MORPHOLINO-2-(4-NITROPHENYL)OXAZOL-4-YL]ETHANONE
Name2,2,2-TRIFLUORO-1-[5-MORPHOLINO-2-(4-NITROPHENYL)OXAZOL-4-YL]ETHANONE
1Identification
【Name】
2,2,2-TRIFLUORO-1-[5-MORPHOLINO-2-(4-NITROPHENYL)OXAZOL-4-YL]ETHANONE
【CAS】
【MDL】
MFCD18969993
【English Synonyms】
【Formula】
C15 H12 F3 N3 O5
【MolWeight】
371.27
【Inchi】
InChI=1S/C15H12F3N3O5/c16-15(17,18)12(22)11-14(20-5-7-25-8-6-20)26-13(19-11)9-1-3-10(4-2-9)21(23)24/h1-4H,5-8H2
【InChIKey】
InChIKey=JNIKQBLZTYDDFE-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1c2nc(c(o2)N3CCOCC3)C(=O)C(F)(F)F)[N+](=O)[O-]
【MOL File】
2,2,2-TRIFLUORO-1-[5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,2,2-TRIFLUORO-1-[5-MORPHOLINO-2-(4-NITROPHENYL)OXAZOL-4-YL]ETHANONE.cml