577036-07-8
4-CYANO-4-(3-FLUOROPHENYL)CYCLOHEXAN-1-ONE
Name4-CYANO-4-(3-FLUOROPHENYL)CYCLOHEXAN-1-ONE
1Identification
【Name】
4-CYANO-4-(3-FLUOROPHENYL)CYCLOHEXAN-1-ONE
【CAS】
【MDL】
MFCD11849775
【English Synonyms】
【Formula】
C13 H12 F N O
【MolWeight】
217.242
【Inchi】
InChI=1S/C13H12FNO/c14-11-3-1-2-10(8-11)13(9-15)6-4-12(16)5-7-13/h1-3,8H,4-7H2
【InChIKey】
InChIKey=BFLZLPZXLOXUHM-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)F)C2(CCC(=O)CC2)C#N
【MOL File】
4-CYANO-4-(3-FLUOROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CYANO-4-(3-FLUOROPHENYL)CYCLOHEXAN-1-ONE.cml