29138-42-9
LU 6-041 HYDROCHLORIDE
NameLU 6-041 HYDROCHLORIDE
FormulaC21 H21 F6 N O . Cl H
1Identification
【Name】
LU 6-041 HYDROCHLORIDE
【CAS】
【MDL】
MFCD01704643
【English Synonyms】
【Formula】
C21 H21 F6 N O . Cl H
【MolWeight】
453.852
【Inchi】
InChI=1S/C21H21F6NO.ClH/c1-28(2)14-8-13-18(15-9-4-3-5-10-15)16-11-6-7-12-17(16)19(29-18,20(22,23)24)21(25,26)27;/h3-7,9-12H,8,13-14H2,1-2H3;1H
【InChIKey】
InChIKey=YPXYVICCGRGENS-UHFFFAOYSA-N
【SMILES】
CN(C)CCCC1(c2ccccc2C(O1)(C(F)(F)F)C(F)(F)F)c3ccccc3.Cl
【MOL File】
LU 6-041 HYDROCHLORI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
LU 6-041 HYDROCHLORIDE.cml