898762-09-9
4-BROMO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-FLUOROBENZOPHENONE
Name4-BROMO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-FLUOROBENZOPHENONE
1Identification
【Name】
4-BROMO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-2-FLUOROBENZOPHENONE
【CAS】
【MDL】
MFCD03842211
【English Synonyms】
【Formula】
C21 H21 Br F N O3
【MolWeight】
434.303
【Inchi】
InChI=1S/C21H21BrFNO3/c22-17-4-5-18(19(23)13-17)20(25)16-3-1-2-15(12-16)14-24-8-6-21(7-9-24)26-10-11-27-21/h1-5,12-13H,6-11,14H2
【InChIKey】
InChIKey=RHCHXOUDQIMVSM-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(=O)c2ccc(cc2F)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]-2-FLUOROBENZOPHENONE.cml