898790-17-5
3-(2-METHYLPHENYL)-3',4',5'-TRIFLUOROPROPIOPHENONE
Name3-(2-METHYLPHENYL)-3',4',5'-TRIFLUOROPROPIOPHENONE
1Identification
【Name】
3-(2-METHYLPHENYL)-3',4',5'-TRIFLUOROPROPIOPHENONE
【CAS】
【MDL】
MFCD03843008
【English Synonyms】
【Formula】
C16 H13 F3 O
【MolWeight】
278.272
【Inchi】
InChI=1S/C16H13F3O/c1-10-4-2-3-5-11(10)6-7-15(20)12-8-13(17)16(19)14(18)9-12/h2-5,8-9H,6-7H2,1H3
【InChIKey】
InChIKey=KQRNMRKURLYFAL-UHFFFAOYSA-N
【SMILES】
Cc1ccccc1CCC(=O)c2cc(c(c(c2)F)F)F
【MOL File】
3-(2-METHYLPHENYL)-3….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-METHYLPHENYL)-3',4',5'-TRIFLUOROPROPIOPHENONE.cml