505079-40-3
5-(4-CL-PH)-4-(2-FUROYL)-3-HO-1-(2-METHOXYETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
Name5-(4-CL-PH)-4-(2-FUROYL)-3-HO-1-(2-METHOXYETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
1Identification
【Name】
5-(4-CL-PH)-4-(2-FUROYL)-3-HO-1-(2-METHOXYETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE
【CAS】
【MDL】
MFCD03679394
【English Synonyms】
【Formula】
C18 H16 Cl N O5
【MolWeight】
361.779
【Inchi】
InChI=1S/C18H16ClNO5/c1-24-10-8-20-15(11-4-6-12(19)7-5-11)14(17(22)18(20)23)16(21)13-3-2-9-25-13/h2-7,9,15,22H,8,10H2,1H3
【InChIKey】
InChIKey=KPVDLQVBJFDOIF-UHFFFAOYSA-N
【SMILES】
COCCN1C(C(=C(C1=O)O)C(=O)c2ccco2)c3ccc(cc3)Cl
【MOL File】
5-(4-CL-PH)-4-(2-FUR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-CL-PH)-4-(2-FUROYL)-3-HO-1-(2-METHOXYETHYL)-1,5-DIHYDRO-2H-PYRROL-2-ONE.cml