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76053-36-6
2-OXO-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
Name
2-OXO-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
Formula
C13 H7 F3 N2 O
MolWeight
264.205
1Identification
【Name】
2-OXO-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE
【CAS】
【MDL】
MFCD00232370
【English Synonyms】
【Formula】
C13 H7 F3 N2 O
【MolWeight】
264.205
【Inchi】
InChI=1S/C13H7F3N2O/c14-13(15,16)11-3-1-2-8(5-11)10-4-9(6-17)12(19)18-7-10/h1-5,7H,(H,18,19)
【InChIKey】
InChIKey=AOABLFTVNRQPOX-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)C(F)(F)F)c2cc(c(=O)[nH]c2)C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-OXO-5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2-DIHYDRO-3-PYRIDINECARBONITRILE.cml
Quick Release
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