519018-09-8
1-(4,5-DIFLUORO-2-METHYLPHENYL)-1-BUTANONE
Name1-(4,5-DIFLUORO-2-METHYLPHENYL)-1-BUTANONE
1Identification
【Name】
1-(4,5-DIFLUORO-2-METHYLPHENYL)-1-BUTANONE
【CAS】
【MDL】
MFCD02871630
【English Synonyms】
【Formula】
C11 H12 F2 O
【MolWeight】
198.211
【Inchi】
InChI=1S/C11H12F2O/c1-3-4-11(14)8-6-10(13)9(12)5-7(8)2/h5-6H,3-4H2,1-2H3
【InChIKey】
InChIKey=ISZTWULBXCOOQJ-UHFFFAOYSA-N
【SMILES】
CCCC(=O)c1cc(c(cc1C)F)F
【MOL File】
1-(4,5-DIFLUORO-2-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4,5-DIFLUORO-2-METHYLPHENYL)-1-BUTANONE.cml