958332-81-5
6-CHLORO-7-TRIFLUOROMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
Name6-CHLORO-7-TRIFLUOROMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
pro_formulaC13 H9 Cl F3 N O2
1Identification
【Name】
6-CHLORO-7-TRIFLUOROMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD18073633
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H9 Cl F3 N O2
【pro_molWeight】
303.666
【Inchi】
InChI=1S/C13H9ClF3NO2/c1-2-20-12(19)8-3-7-4-10(14)9(13(15,16)17)5-11(7)18-6-8/h3-6H,2H2,1H3
【InChIKey】
InChIKey=BNDIPXOWCWBABU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc2cc(c(cc2nc1)C(F)(F)F)Cl
【MOL File】
6-CHLORO-7-TRIFLUORO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
6-CHLORO-7-TRIFLUOROMETHYL-QUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER.cml