1822428-40-9
Benzenebutanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3,5-difluoro-
NameBenzenebutanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3,5-difluoro-
1Identification
【Name】
Benzenebutanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3,5-difluoro-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C15H19F2NO4
【MolWeight】
315.3125
【Inchi】
InChI=1S/C15H19F2NO4/c1-15(2,3)22-14(21)18-12(13(19)20)5-4-9-6-10(16)8-11(17)7-9/h6-8,12H,4-5H2,1-3H3,(H,18,21)(H,19,20)
【InChIKey】
InChIKey=HMEBRPWJVMJDBK-UHFFFAOYSA-N
【SMILES】
CC(C)(OC(=O)NC(C(=O)O)CCC1=CC(=CC(=C1)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, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3,5-difluoro-.cml