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142501-42-6
2,4,5-TRIFLUOROBENZOYLACETONITRILE
Name
2,4,5-TRIFLUOROBENZOYLACETONITRILE
Formula
C9 H4 F3 N O
MolWeight
199.131
1Identification
【Name】
2,4,5-TRIFLUOROBENZOYLACETONITRILE
【CAS】
【MDL】
MFCD02260821
【English Synonyms】
【Formula】
C9 H4 F3 N O
【MolWeight】
199.131
【Inchi】
InChI=1S/C9H4F3NO/c10-6-4-8(12)7(11)3-5(6)9(14)1-2-13/h3-4H,1H2
【InChIKey】
InChIKey=OXROCPTTWLHZCC-UHFFFAOYSA-N
【SMILES】
c1c(c(cc(c1F)F)F)C(=O)CC#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4,5-TRIFLUOROBENZOYLACETONITRILE.cml
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