56957-81-4
4-(DECYLSULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE
Name4-(DECYLSULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE
FormulaC17 H21 Cl4 N O2 S
1Identification
【Name】
4-(DECYLSULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE
【CAS】
【MDL】
MFCD01662153
【English Synonyms】
【Formula】
C17 H21 Cl4 N O2 S
【MolWeight】
445.236
【Inchi】
InChI=1S/C17H21Cl4NO2S/c1-2-3-4-5-6-7-8-9-10-25(23,24)17-15(20)13(18)12(11-22)14(19)16(17)21/h2-10H2,1H3
【InChIKey】
InChIKey=HHVVIAYXQAOHCC-UHFFFAOYSA-N
【SMILES】
CCCCCCCCCCS(=O)(=O)c1c(c(c(c(c1Cl)Cl)C#N)Cl)Cl
【MOL File】
4-(DECYLSULFONYL)-2,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(DECYLSULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE.cml