757192-82-8
2-CHLORO-1-(2,5-DIMETHYL-1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-PYRROL-3-YL)ETHANONE
Name2-CHLORO-1-(2,5-DIMETHYL-1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-PYRROL-3-YL)ETHANONE
FormulaC15 H13 Cl F3 N O2
1Identification
【Name】
2-CHLORO-1-(2,5-DIMETHYL-1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-PYRROL-3-YL)ETHANONE
【CAS】
【MDL】
MFCD06340100
【English Synonyms】
【Formula】
C15 H13 Cl F3 N O2
【MolWeight】
331.72
【Inchi】
InChI=1S/C15H13ClF3NO2/c1-9-7-13(14(21)8-16)10(2)20(9)11-3-5-12(6-4-11)22-15(17,18)19/h3-7H,8H2,1-2H3
【InChIKey】
InChIKey=UQVBEDXCYXVVIU-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n1c2ccc(cc2)OC(F)(F)F)C)C(=O)CCl
【MOL File】
2-CHLORO-1-(2,5-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CHLORO-1-(2,5-DIMETHYL-1-[4-(TRIFLUOROMETHOXY)PHENYL]-1H-PYRROL-3-YL)ETHANONE.cml