51418-86-1
ETHYL 6-BROMO-2,7-DIHYDRO-4-METHYL-2,7-DIOXO-3H-DIBENZO[F,IJ] ISOQUINOLINECARBOXYLATE
NameETHYL 6-BROMO-2,7-DIHYDRO-4-METHYL-2,7-DIOXO-3H-DIBENZO[F,IJ] ISOQUINOLINECARBOXYLATE
1Identification
【Name】
ETHYL 6-BROMO-2,7-DIHYDRO-4-METHYL-2,7-DIOXO-3H-DIBENZO[F,IJ] ISOQUINOLINECARBOXYLATE
【CAS】
【MDL】
MFCD02728506
【English Synonyms】
【Formula】
C20 H14 Br N O4
【MolWeight】
412.238
【Inchi】
InChI=1S/C20H14BrNO4/c1-3-26-20(25)16-13-10-6-4-5-7-11(10)18(23)14-12(21)8-9(2)17(15(13)14)22-19(16)24/h4-8H,3H2,1-2H3,(H,22,24)
【InChIKey】
InChIKey=UPPWYHBZBLCPDK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c-2c3c(c(cc(c3[nH]c1=O)C)Br)C(=O)c4c2cccc4
【MOL File】
ETHYL 6-BROMO-2,7-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 6-BROMO-2,7-DIHYDRO-4-METHYL-2,7-DIOXO-3H-DIBENZO[F,IJ] ISOQUINOLINECARBOXYLATE.cml