939802-35-4
Benzenebutanoic acid, 2-chloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-6-fluoro-
NameBenzenebutanoic acid, 2-chloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-6-fluoro-
1Identification
【Name】
Benzenebutanoic acid, 2-chloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-6-fluoro-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H19ClFNO4
【MolWeight】
331.767
【Inchi】
InChI=1S/C15H19ClFNO4/c1-15(2,3)22-14(21)18-9(8-13(19)20)7-10-11(16)5-4-6-12(10)17/h4-6,9H,7-8H2,1-3H3,(H,18,21)(H,19,20)
【InChIKey】
InChIKey=XJMXHNSLZOMLNE-UHFFFAOYSA-N
【SMILES】
ClC1=C(C(=CC=C1)F)CC(CC(=O)O)NC(=O)OC(C)(C)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, 2-chloro-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-6-fluoro-.cml