94703-33-0
1-(4-DIMETHYLAMINO-2-FLUORO-PHENYL)-3-(4-DIMETHYLIMMONIUM-2-FLUORO-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-2-OXO-CYCLOBUTEN-4-OLATE
Name1-(4-DIMETHYLAMINO-2-FLUORO-PHENYL)-3-(4-DIMETHYLIMMONIUM-2-FLUORO-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-2-OXO-CYCLOBUTEN-4-OLATE
1Identification
【Name】
1-(4-DIMETHYLAMINO-2-FLUORO-PHENYL)-3-(4-DIMETHYLIMMONIUM-2-FLUORO-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-2-OXO-CYCLOBUTEN-4-OLATE
【CAS】
【MDL】
MFCD00799369
【English Synonyms】
【Formula】
C20 H18 F2 N2 O2
【MolWeight】
356.37
【Inchi】
InChI=1S/C20H18F2N2O2/c1-23(2)11-5-7-13(15(21)9-11)17-19(25)18(20(17)26)14-8-6-12(24(3)4)10-16(14)22/h5-10H,1-4H3
【InChIKey】
InChIKey=KDFNPCYLXGMONU-UHFFFAOYSA-N
【SMILES】
CN(C)c1ccc(c(c1)F)C2=C(/C(=C/3\C=CC(=[N+](C)C)C=C3F)/C2=O)[O-]
【MOL File】
1-(4-DIMETHYLAMINO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-DIMETHYLAMINO-2-FLUORO-PHENYL)-3-(4-DIMETHYLIMMONIUM-2-FLUORO-CYCLOHEXA-2,5-DIEN-1-YLIDENE)-2-OXO-CYCLOBUTEN-4-OLATE.cml