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194673-12-6
ETHYL 6-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE
Name
ETHYL 6-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE
Formula
C9 H10 F3 N O3
MolWeight
237.176
1Identification
【Name】
ETHYL 6-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE
【CAS】
【MDL】
MFCD00975005
【English Synonyms】
【Formula】
C9 H10 F3 N O3
【MolWeight】
237.176
【Inchi】
InChI=1S/C9H10F3NO3/c1-2-16-8(15)5-3-4-6(14)13-7(5)9(10,11)12/h2-4H2,1H3,(H,13,14)
【InChIKey】
InChIKey=QTHTZBDPNNJDRG-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1=C(NC(=O)CC1)C(F)(F)F
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 6-OXO-2-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-3-PYRIDINECARBOXYLATE.cml
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