23779-94-4
2-((2-TRIFLUOROMETHYLPHENYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTER
Name2-((2-TRIFLUOROMETHYLPHENYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTER
1Identification
【Name】
2-((2-TRIFLUOROMETHYLPHENYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTER
【CAS】
【MDL】
MFCD02684205
【English Synonyms】
【Formula】
C15 H18 F3 N O4
【MolWeight】
333.304
【Inchi】
InChI=1S/C15H18F3NO4/c1-3-22-13(20)10(14(21)23-4-2)9-19-12-8-6-5-7-11(12)15(16,17)18/h5-6,8-9,11,19H,3-4,7H2,1-2H3
【InChIKey】
InChIKey=PAMIYZSRLXSWKO-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(=CNC1=CC=CCC1C(F)(F)F)C(=O)OCC
【MOL File】
2-((2-TRIFLUOROMETHY….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
2-((2-TRIFLUOROMETHYLPHENYLAMINO)METHYLENE)MALONIC ACID DIETHYL ESTER.cml