496941-62-9
1-(3,4-DIFLUOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
Name1-(3,4-DIFLUOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
1Identification
【Name】
1-(3,4-DIFLUOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03082778
【English Synonyms】
【Formula】
C11 H9 F2 N O3
【MolWeight】
241.192
【Inchi】
InChI=1S/C11H9F2NO3/c12-8-2-1-7(4-9(8)13)14-5-6(11(16)17)3-10(14)15/h1-2,4,6H,3,5H2,(H,16,17)
【InChIKey】
InChIKey=ZONVRPYTUSSRDE-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1N2CC(CC2=O)C(=O)O)F)F
【MOL File】
1-(3,4-DIFLUOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3,4-DIFLUOROPHENYL)-5-OXOPYRROLIDINE-3-CARBOXYLIC ACID.cml