951006-39-6
ETHYL 6-IODO-8-METHYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE
NameETHYL 6-IODO-8-METHYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE
pro_formulaC13 H12 I N O3
1Identification
【Name】
ETHYL 6-IODO-8-METHYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD12827793
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H12 I N O3
【pro_molWeight】
357.142
【Inchi】
InChI=1S/C13H12INO3/c1-3-18-13(17)10-6-15-11-7(2)4-8(14)5-9(11)12(10)16/h4-6H,3H2,1-2H3,(H,15,16)
【InChIKey】
InChIKey=BHLKSAHVKKYWON-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c[nH]c2c(cc(cc2c1=O)I)C
【MOL File】
ETHYL 6-IODO-8-METHY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
ETHYL 6-IODO-8-METHYL-4-OXO-1,4-DIHYDROQUINOLINE-3-CARBOXYLATE.cml