635702-32-8
3-TRIFLUOROMETHYL-4-(S)-2-BUTOXYBENZONITRILE
Name3-TRIFLUOROMETHYL-4-(S)-2-BUTOXYBENZONITRILE
1Identification
【Name】
3-TRIFLUOROMETHYL-4-(S)-2-BUTOXYBENZONITRILE
【CAS】
【MDL】
MFCD12965082
【English Synonyms】
【Formula】
C13 H14 F3 N O
【MolWeight】
257.254
【Inchi】
InChI=1S/C13H14F3NO/c1-3-4-9(2)18-12-6-5-10(8-17)7-11(12)13(14,15)16/h5-7,9H,3-4H2,1-2H3/t9-/m0/s1
【InChIKey】
InChIKey=PDJGTKOROKTXJD-VIFPVBQESA-N
【SMILES】
CCC[C@H](C)Oc1ccc(cc1C(F)(F)F)C#N
【MOL File】
3-TRIFLUOROMETHYL-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-TRIFLUOROMETHYL-4-(S)-2-BUTOXYBENZONITRILE.cml