267880-80-8
4'-CHLORO-3'-FLUOROBENZOYLACETONITRILE
Name4'-CHLORO-3'-FLUOROBENZOYLACETONITRILE
1Identification
【Name】
4'-CHLORO-3'-FLUOROBENZOYLACETONITRILE
【CAS】
【MDL】
MFCD11113345
【English Synonyms】
【Formula】
C9 H5 Cl F N O
【MolWeight】
197.596
【Inchi】
InChI=1S/C9H5ClFNO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5H,3H2
【InChIKey】
InChIKey=XGQSPQDQOKUKRN-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1C(=O)CC#N)F)Cl
【MOL File】
4'-CHLORO-3'-FLUOROB….mol
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
4'-CHLORO-3'-FLUOROBENZOYLACETONITRILE.cml