1370252-82-6
2,2,7-trifluoro-6-isothiocyanato-4-(prop-2-ynyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
Name2,2,7-trifluoro-6-isothiocyanato-4-(prop-2-ynyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
1Identification
【Name】
2,2,7-trifluoro-6-isothiocyanato-4-(prop-2-ynyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
【CAS】
【MDL】
【English Synonyms】
【Formula】
C12H5F3N2O2S
【MolWeight】
298.241
【Inchi】
InChI=1S/C12H5F3N2O2S/c1-2-3-17-9-5-8(16-6-20)7(13)4-10(9)19-12(14,15)11(17)18/h1,4-5H,3H2
【InChIKey】
InChIKey=NALDABUFZXMNQE-UHFFFAOYSA-N
【SMILES】
FC1(C(N(C2=C(O1)C=C(C(=C2)N=C=S)F)CC#C)=O)F
【MOL File】
2,2,7-trifluoro-6-is….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
2,2,7-trifluoro-6-isothiocyanato-4-(prop-2-ynyl)-2H-benzo[b][1,4]oxazin-3(4H)-one.cml