1202006-95-8
1-(3,4-DIFLUOROPHENYL)-4-OXO-CYCLOHEXANECARBONITRILE
Name1-(3,4-DIFLUOROPHENYL)-4-OXO-CYCLOHEXANECARBONITRILE
1Identification
【Name】
1-(3,4-DIFLUOROPHENYL)-4-OXO-CYCLOHEXANECARBONITRILE
【CAS】
【MDL】
MFCD17013954
【English Synonyms】
【Formula】
C13 H11 F2 N O
【MolWeight】
235.232
【Inchi】
InChI=1S/C13H11F2NO/c14-11-2-1-9(7-12(11)15)13(8-16)5-3-10(17)4-6-13/h1-2,7H,3-6H2
【InChIKey】
InChIKey=OTZQHUVUIGLYNG-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C2(CCC(=O)CC2)C#N)F)F
【MOL File】
1-(3,4-DIFLUOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3,4-DIFLUOROPHENYL)-4-OXO-CYCLOHEXANECARBONITRILE.cml