370-35-4
DIETHYL ((ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)-METHYLENE)-MALONATE
NameDIETHYL ((ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)-METHYLENE)-MALONATE
1Identification
【Name】
DIETHYL ((ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)-METHYLENE)-MALONATE
【CAS】
【MDL】
MFCD00085548
【English Synonyms】
【Formula】
C15 H16 F3 N O4
【MolWeight】
331.288
【Inchi】
InChI=1S/C15H16F3NO4/c1-3-22-13(20)12(14(21)23-4-2)9-19-11-7-5-6-10(8-11)15(16,17)18/h5-9,19H,3-4H2,1-2H3
【InChIKey】
InChIKey=RFRRNORICIZXCP-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C(=CNc1cccc(c1)C(F)(F)F)C(=O)OCC
【MOL File】
DIETHYL ((ALPHA,ALPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DIETHYL ((ALPHA,ALPHA,ALPHA-TRIFLUORO-M-TOLUIDINO)-METHYLENE)-MALONATE.cml