31377-97-6
1-(4-BROMOPHENYL)-2-((4-METHYLPHENYL)SULFONYL)ETHAN-1-ONE
Name1-(4-BROMOPHENYL)-2-((4-METHYLPHENYL)SULFONYL)ETHAN-1-ONE
1Identification
【Name】
1-(4-BROMOPHENYL)-2-((4-METHYLPHENYL)SULFONYL)ETHAN-1-ONE
【CAS】
【MDL】
MFCD00129540
【English Synonyms】
【Formula】
C15 H13 Br O3 S
【MolWeight】
353.235
【Inchi】
InChI=1S/C15H13BrO3S/c1-11-2-8-14(9-3-11)20(18,19)10-15(17)12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
【InChIKey】
InChIKey=JGMRIHQYBXLTGM-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)CC(=O)c2ccc(cc2)Br
【MOL File】
1-(4-BROMOPHENYL)-2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-BROMOPHENYL)-2-((4-METHYLPHENYL)SULFONYL)ETHAN-1-ONE.cml