56916-63-3
4-(3-PHENYLPROPYLSULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE
Name4-(3-PHENYLPROPYLSULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE
FormulaC16 H11 Cl4 N O2 S
1Identification
【Name】
4-(3-PHENYLPROPYLSULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE
【CAS】
【MDL】
MFCD01744578
【English Synonyms】
【Formula】
C16 H11 Cl4 N O2 S
【MolWeight】
423.146
【Inchi】
InChI=1S/C16H11Cl4NO2S/c17-12-11(9-21)13(18)15(20)16(14(12)19)24(22,23)8-4-7-10-5-2-1-3-6-10/h1-3,5-6H,4,7-8H2
【InChIKey】
InChIKey=BGFXYRWKTITODM-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)CCCS(=O)(=O)c2c(c(c(c(c2Cl)Cl)C#N)Cl)Cl
【MOL File】
4-(3-PHENYLPROPYLSUL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3-PHENYLPROPYLSULFONYL)-2,3,5,6-TETRACHLOROBENZONITRILE.cml