94856-19-6
1-(2,5-DIMETHYLPHENYL)-4,4,4-TRIFLUORO-1,3-BUTANEDIONE
Name1-(2,5-DIMETHYLPHENYL)-4,4,4-TRIFLUORO-1,3-BUTANEDIONE
1Identification
【Name】
1-(2,5-DIMETHYLPHENYL)-4,4,4-TRIFLUORO-1,3-BUTANEDIONE
【CAS】
【MDL】
MFCD03421407
【English Synonyms】
【Formula】
C12 H11 F3 O2
【MolWeight】
244.211
【Inchi】
InChI=1S/C12H11F3O2/c1-7-3-4-8(2)9(5-7)10(16)6-11(17)12(13,14)15/h3-5H,6H2,1-2H3
【InChIKey】
InChIKey=AGEXHYOSWDVZCS-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)C(=O)CC(=O)C(F)(F)F)C
【MOL File】
1-(2,5-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2,5-DIMETHYLPHENYL)-4,4,4-TRIFLUORO-1,3-BUTANEDIONE.cml