866615-52-3
METHANESULFONIC ACID 5'-TRIFLUOROMETHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL ESTER
Name
METHANESULFONIC ACID 5'-TRIFLUOROMETHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL ESTER
Formula
C12 H15 F3 N2 O3 S
MolWeight
324.322
1Identification
【Name】
METHANESULFONIC ACID 5'-TRIFLUOROMETHYL-3,4,5,6-TETRAHYDRO-2H-[1,2']BIPYRIDINYL-4-YL ESTER
【CAS】
【MDL】
MFCD12546650
【English Synonyms】
【Formula】
C12 H15 F3 N2 O3 S
【MolWeight】
324.322
【Inchi】
InChI=1S/C12H15F3N2O3S/c1-21(18,19)20-10-4-6-17(7-5-10)11-3-2-9(8-16-11)12(13,14)15/h2-3,8,10H,4-7H2,1H3
【InChIKey】
InChIKey=VWKWUVNIXWBEAA-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)OC1CCN(CC1)c2ccc(cn2)C(F)(F)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F