898761-69-8
3-BROMO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
Name3-BROMO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
1Identification
【Name】
3-BROMO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE
【CAS】
【MDL】
MFCD03842192
【English Synonyms】
【Formula】
C21 H22 Br N O3
【MolWeight】
416.313
【Inchi】
InChI=1S/C21H22BrNO3/c22-19-6-2-5-18(14-19)20(24)17-4-1-3-16(13-17)15-23-9-7-21(8-10-23)25-11-12-26-21/h1-6,13-14H,7-12,15H2
【InChIKey】
InChIKey=AJFKVWCEHOUUPO-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(=O)c2cccc(c2)Br)CN3CCC4(CC3)OCCO4
【MOL File】
3-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
3-BROMO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]BENZOPHENONE.cml