71083-74-4
3-QUINOLINECARBONITRILE, 5,8-DIFLUORO-1,4-DIHYDRO-4-OXO-
Name3-QUINOLINECARBONITRILE, 5,8-DIFLUORO-1,4-DIHYDRO-4-OXO-
1Identification
【Name】
3-QUINOLINECARBONITRILE, 5,8-DIFLUORO-1,4-DIHYDRO-4-OXO-
【CAS】
【MDL】
MFCD09932311
【English Synonyms】
【Formula】
C10 H4 F2 N2 O
【MolWeight】
206.151
【Inchi】
InChI=1S/C10H4F2N2O/c11-6-1-2-7(12)9-8(6)10(15)5(3-13)4-14-9/h1-2,4H,(H,14,15)
【InChIKey】
InChIKey=KKGNDVLQENGPSP-UHFFFAOYSA-N
【SMILES】
c1cc(c2c(c1F)c(=O)c(c[nH]2)C#N)F
【MOL File】
3-QUINOLINECARBONITR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-QUINOLINECARBONITRILE, 5,8-DIFLUORO-1,4-DIHYDRO-4-OXO-.cml