775354-19-3
Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-5-(trifluoromethyl)-, (betaR)-
NameBenzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-5-(trifluoromethyl)-, (betaR)-
1Identification
【Name】
Benzenebutanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-5-(trifluoromethyl)-, (betaR)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C16H19F4NO4
【MolWeight】
365.32
【Inchi】
InChI=1S/C16H19F4NO4/c1-15(2,3)25-14(24)21-11(8-13(22)23)7-9-6-10(16(18,19)20)4-5-12(9)17/h4-6,11H,7-8H2,1-3H3,(H,21,24)(H,22,23)/t11-/m1/s1
【InChIKey】
InChIKey=INXGFNZVXZCVSW-LLVKDONJSA-N
【SMILES】
CC(C)(OC(=O)N[C@@H](CC(=O)O)CC1=C(C=CC(=C1)C(F)(F)F)F)C
【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, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-2-fluoro-5-(trifluoromethyl)-, (betaR)-.cml