1802897-77-3
[1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4'-(trifluoromethyl)-, (αS)-
Name[1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4'-(trifluoromethyl)-, (αS)-
1Identification
【Name】
[1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4'-(trifluoromethyl)-, (αS)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C21H22F3NO4
【MolWeight】
409.3989
【Inchi】
InChI=1S/C21H22F3NO4/c1-20(2,3)29-19(28)25-17(18(26)27)12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)21(22,23)24/h4-11,17H,12H2,1-3H3,(H,25,28)(H,26,27)/t17-/m0/s1
【InChIKey】
InChIKey=UJPCKHIRJRMDKC-KRWDZBQOSA-N
【SMILES】
CC(C)(OC(=O)N[C@H](C(=O)O)CC1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)C
【MOL File】
[1,1'-Biphenyl]-4-pr….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
[1,1'-Biphenyl]-4-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-4'-(trifluoromethyl)-, (αS)-.cml