1151240-90-2
Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, ethyl ester, (βS)-
NameBenzenebutanoic acid, β-amino-2,4,5-trifluoro-, ethyl ester, (βS)-
1Identification
【Name】
Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, ethyl ester, (βS)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C12H14F3NO2
【MolWeight】
261.2403
【Inchi】
InChI=1S/C12H14F3NO2/c1-2-18-12(17)5-8(16)3-7-4-10(14)11(15)6-9(7)13/h4,6,8H,2-3,5,16H2,1H3/t8-/m0/s1
【InChIKey】
InChIKey=SCAQGFRAYMMTNM-QMMMGPOBSA-N
【SMILES】
N[C@H](CC(=O)OCC)CC1=C(C=C(C(=C1)F)F)F
【MOL File】
Benzenebutanoic acid….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Benzenebutanoic acid, β-amino-2,4,5-trifluoro-, ethyl ester, (βS)-.cml