338959-92-5
(4-CHLOROPHENYL)[3-[(4-METHYLPHENYL)SULFONYL]-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHANONE
Name(4-CHLOROPHENYL)[3-[(4-METHYLPHENYL)SULFONYL]-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHANONE
FormulaC20 H13 Cl F3 N O3 S
1Identification
【Name】
(4-CHLOROPHENYL)[3-[(4-METHYLPHENYL)SULFONYL]-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHANONE
【CAS】
【MDL】
MFCD00244687
【English Synonyms】
【Formula】
C20 H13 Cl F3 N O3 S
【MolWeight】
439.84
【Inchi】
InChI=1S/C20H13ClF3NO3S/c1-12-2-8-16(9-3-12)29(27,28)17-10-14(20(22,23)24)11-25-18(17)19(26)13-4-6-15(21)7-5-13/h2-11H,1H3
【InChIKey】
InChIKey=DKLARJVYTKFUMI-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)c2cc(cnc2C(=O)c3ccc(cc3)Cl)C(F)(F)F
【MOL File】
(4-CHLOROPHENYL)[3-[….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-CHLOROPHENYL)[3-[(4-METHYLPHENYL)SULFONYL]-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]METHANONE.cml