898762-11-3
2-CHLORO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE
Name2-CHLORO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE
1Identification
【Name】
2-CHLORO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE
【CAS】
【MDL】
MFCD03842212
【English Synonyms】
【Formula】
C21 H21 Cl F N O3
【MolWeight】
389.852
【Inchi】
InChI=1S/C21H21ClFNO3/c22-19-13-17(23)4-5-18(19)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=SZKWRDHCOAUZID-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(=O)c2ccc(cc2Cl)F)CN3CCC4(CC3)OCCO4
【MOL File】
2-CHLORO-3'-[8-(1,4-….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
2-CHLORO-3'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE.cml