1092532-47-2
4-OXO-1-[2-(TRIFLUOROMETHOXY)PHENYL]-CYCLOHEXANECARBONITRILE
Name4-OXO-1-[2-(TRIFLUOROMETHOXY)PHENYL]-CYCLOHEXANECARBONITRILE
1Identification
【Name】
4-OXO-1-[2-(TRIFLUOROMETHOXY)PHENYL]-CYCLOHEXANECARBONITRILE
【CAS】
【MDL】
MFCD17013947
【English Synonyms】
【Formula】
C14 H12 F3 N O2
【MolWeight】
283.248
【Inchi】
InChI=1S/C14H12F3NO2/c15-14(16,17)20-12-4-2-1-3-11(12)13(9-18)7-5-10(19)6-8-13/h1-4H,5-8H2
【InChIKey】
InChIKey=SCXJAGCPGYWTEH-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C2(CCC(=O)CC2)C#N)OC(F)(F)F
【MOL File】
4-OXO-1-[2-(TRIFLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-OXO-1-[2-(TRIFLUOROMETHOXY)PHENYL]-CYCLOHEXANECARBONITRILE.cml