898761-71-2
4'-BROMO-3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
Name4'-BROMO-3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
1Identification
【Name】
4'-BROMO-3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
【CAS】
【MDL】
MFCD03842193
【English Synonyms】
【Formula】
C21 H22 Br N O3
【MolWeight】
416.313
【Inchi】
InChI=1S/C21H22BrNO3/c22-19-6-4-17(5-7-19)20(24)18-3-1-2-16(14-18)15-23-10-8-21(9-11-23)25-12-13-26-21/h1-7,14H,8-13,15H2
【InChIKey】
InChIKey=NCZVPKGJVGIRRE-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(=O)c2ccc(cc2)Br)CN3CCC4(CC3)OCCO4
【MOL File】
4'-BROMO-3-[8-(1,4-D….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4'-BROMO-3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE.cml