1259958-17-2
[1,1'-Biphenyl]-3-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3'-(trifluoromethyl)-
Name[1,1'-Biphenyl]-3-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3'-(trifluoromethyl)-
1Identification
【Name】
[1,1'-Biphenyl]-3-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3'-(trifluoromethyl)-
【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)11-13-6-4-7-14(10-13)15-8-5-9-16(12-15)21(22,23)24/h4-10,12,17H,11H2,1-3H3,(H,25,28)(H,26,27)
【InChIKey】
InChIKey=UOOQQZITJUVWKL-UHFFFAOYSA-N
【SMILES】
CC(C)(OC(=O)NC(C(=O)O)CC=1C=C(C=CC1)C1=CC(=CC=C1)C(F)(F)F)C
【MOL File】
[1,1'-Biphenyl]-3-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]-3-propanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3'-(trifluoromethyl)-.cml