677704-57-3
3-(TRIFLUOROMETHYL)-4-MORPHOLINOBENZONITRILE
Name3-(TRIFLUOROMETHYL)-4-MORPHOLINOBENZONITRILE
1Identification
【Name】
3-(TRIFLUOROMETHYL)-4-MORPHOLINOBENZONITRILE
【CAS】
【MDL】
MFCD11038561
【English Synonyms】
【Formula】
C12 H11 F3 N2 O
【MolWeight】
256.226
【Inchi】
InChI=1S/C12H11F3N2O/c13-12(14,15)10-7-9(8-16)1-2-11(10)17-3-5-18-6-4-17/h1-2,7H,3-6H2
【InChIKey】
InChIKey=BHTGBXRJZTUDPR-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C#N)C(F)(F)F)N2CCOCC2
【MOL File】
3-(TRIFLUOROMETHYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(TRIFLUOROMETHYL)-4-MORPHOLINOBENZONITRILE.cml