115897-54-6
2-(2,4-DICHLOROPHENYL)-2-(1,2,4-TRIAZOL-1-YL METHYL)-1,3-DIOXALANE-4-YL METHYL METHANE SULFONATE
Name2-(2,4-DICHLOROPHENYL)-2-(1,2,4-TRIAZOL-1-YL METHYL)-1,3-DIOXALANE-4-YL METHYL METHANE SULFONATE
FormulaC14 H15 Cl2 N3 O5 S
1Identification
【Name】
2-(2,4-DICHLOROPHENYL)-2-(1,2,4-TRIAZOL-1-YL METHYL)-1,3-DIOXALANE-4-YL METHYL METHANE SULFONATE
【CAS】
【MDL】
MFCD00806008
【English Synonyms】
【Formula】
C14 H15 Cl2 N3 O5 S
【MolWeight】
408.26
【Inchi】
InChI=1S/C14H15Cl2N3O5S/c1-25(20,21)23-6-11-5-22-14(24-11,7-19-9-17-8-18-19)12-3-2-10(15)4-13(12)16/h2-4,8-9,11H,5-7H2,1H3
【InChIKey】
InChIKey=QIMASXGTWQEFGS-UHFFFAOYSA-N
【SMILES】
CS(=O)(=O)OCC1COC(O1)(Cn2cncn2)c3ccc(cc3Cl)Cl
【MOL File】
2-(2,4-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,4-DICHLOROPHENYL)-2-(1,2,4-TRIAZOL-1-YL METHYL)-1,3-DIOXALANE-4-YL METHYL METHANE SULFONATE.cml