270077-44-6
1-(2,3-DIFLUOROPHENYL)-4-OXO-CYCLOHEXANECARBONITRILE
Name1-(2,3-DIFLUOROPHENYL)-4-OXO-CYCLOHEXANECARBONITRILE
1Identification
【Name】
1-(2,3-DIFLUOROPHENYL)-4-OXO-CYCLOHEXANECARBONITRILE
【CAS】
【MDL】
MFCD17013937
【English Synonyms】
【Formula】
C13 H11 F2 N O
【MolWeight】
235.232
【Inchi】
InChI=1S/C13H11F2NO/c14-11-3-1-2-10(12(11)15)13(8-16)6-4-9(17)5-7-13/h1-3H,4-7H2
【InChIKey】
InChIKey=FSHGZMRROCMJHH-UHFFFAOYSA-N
【SMILES】
c1cc(c(c(c1)F)F)C2(CCC(=O)CC2)C#N
【MOL File】
1-(2,3-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-(2,3-DIFLUOROPHENYL)-4-OXO-CYCLOHEXANECARBONITRILE.cml