898776-26-6
3-BROMO-4'-PYRROLIDINOMETHYL BENZOPHENONE
Name3-BROMO-4'-PYRROLIDINOMETHYL BENZOPHENONE
1Identification
【Name】
3-BROMO-4'-PYRROLIDINOMETHYL BENZOPHENONE
【CAS】
【MDL】
MFCD03841510
【English Synonyms】
【Formula】
C18 H18 Br N O
【MolWeight】
344.25
【Inchi】
InChI=1S/C18H18BrNO/c19-17-5-3-4-16(12-17)18(21)15-8-6-14(7-9-15)13-20-10-1-2-11-20/h3-9,12H,1-2,10-11,13H2
【InChIKey】
InChIKey=FQYIACAPGNKMJT-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)Br)C(=O)c2ccc(cc2)CN3CCCC3
【MOL File】
3-BROMO-4'-PYRROLIDI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-BROMO-4'-PYRROLIDINOMETHYL BENZOPHENONE.cml