646506-57-2
2,3-DIBROMO-1-(2,3,4,5,6-PENTAMETHYLPHENYL)-3-PHENYLPROPAN-1-ONE
Name2,3-DIBROMO-1-(2,3,4,5,6-PENTAMETHYLPHENYL)-3-PHENYLPROPAN-1-ONE
1Identification
【Name】
2,3-DIBROMO-1-(2,3,4,5,6-PENTAMETHYLPHENYL)-3-PHENYLPROPAN-1-ONE
【CAS】
【MDL】
MFCD00052406
【English Synonyms】
【Formula】
C20 H22 Br2 O
【MolWeight】
438.201
【Inchi】
InChI=1S/C20H22Br2O/c1-11-12(2)14(4)17(15(5)13(11)3)20(23)19(22)18(21)16-9-7-6-8-10-16/h6-10,18-19H,1-5H3
【InChIKey】
InChIKey=YORUIFVMXANPSV-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(c1C)C)C(=O)C(C(c2ccccc2)Br)Br)C)C
【MOL File】
2,3-DIBROMO-1-(2,3,4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,3-DIBROMO-1-(2,3,4,5,6-PENTAMETHYLPHENYL)-3-PHENYLPROPAN-1-ONE.cml