845548-50-7
ETHYL [3-(4-BROMOPHENYL)-4,6-DIMETHOXY-1H-INDOL-7-YL]-OXO-ACETATE
NameETHYL [3-(4-BROMOPHENYL)-4,6-DIMETHOXY-1H-INDOL-7-YL]-OXO-ACETATE
1Identification
【Name】
ETHYL [3-(4-BROMOPHENYL)-4,6-DIMETHOXY-1H-INDOL-7-YL]-OXO-ACETATE
【CAS】
【MDL】
MFCD11501339
【English Synonyms】
【Formula】
C20 H18 Br N O5
【MolWeight】
432.268
【Inchi】
InChI=1S/C20H18BrNO5/c1-4-27-20(24)19(23)17-15(26-3)9-14(25-2)16-13(10-22-18(16)17)11-5-7-12(21)8-6-11/h5-10,22H,4H2,1-3H3
【InChIKey】
InChIKey=KESRBOCWHBQICH-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(=O)c1c(cc(c2c1[nH]cc2c3ccc(cc3)Br)OC)OC
【MOL File】
ETHYL [3-(4-BROMOPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL [3-(4-BROMOPHENYL)-4,6-DIMETHOXY-1H-INDOL-7-YL]-OXO-ACETATE.cml