324028-12-8
N-ACETYL-3-(3,4,5-TRIFLUOROPHENYL)-D-ALANINE
NameN-ACETYL-3-(3,4,5-TRIFLUOROPHENYL)-D-ALANINE
1Identification
【Name】
N-ACETYL-3-(3,4,5-TRIFLUOROPHENYL)-D-ALANINE
【CAS】
【MDL】
MFCD09991567
【English Synonyms】
【Formula】
C11 H10 F3 N O3
【MolWeight】
261.198
【Inchi】
InChI=1S/C11H10F3NO3/c1-5(16)15-9(11(17)18)4-6-2-7(12)10(14)8(13)3-6/h2-3,9H,4H2,1H3,(H,15,16)(H,17,18)/t9-/m1/s1
【InChIKey】
InChIKey=MJBCGFLRYSZAPQ-SECBINFHSA-N
【SMILES】
CC(=O)N[C@H](Cc1cc(c(c(c1)F)F)F)C(=O)O
【MOL File】
N-ACETYL-3-(3,4,5-TR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-ACETYL-3-(3,4,5-TRIFLUOROPHENYL)-D-ALANINE.cml