898756-20-2
3-CHLORO-2'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE
Name3-CHLORO-2'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE
pro_formulaC21 H21 Cl F N O3
1Identification
【Name】
3-CHLORO-2'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE
【CAS】
【MDL】
MFCD03842715
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C21 H21 Cl F N O3
【pro_molWeight】
389.852
【Inchi】
InChI=1S/C21H21ClFNO3/c22-18-13-15(5-6-19(18)23)20(25)17-4-2-1-3-16(17)14-24-9-7-21(8-10-24)26-11-12-27-21/h1-6,13H,7-12,14H2
【InChIKey】
InChIKey=NKGNCYAINVJNQB-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)CN2CCC3(CC2)OCCO3)C(=O)c4ccc(c(c4)Cl)F
【MOL File】
3-CHLORO-2'-[8-(1,4-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
3-CHLORO-2'-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL)METHYL]-4-FLUOROBENZOPHENONE.cml