209412-22-6
2-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)THIO]-3-PYRIDAZINEACETONITRILE
Name2-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)THIO]-3-PYRIDAZINEACETONITRILE
FormulaC18 H9 Cl2 F2 N3 S
1Identification
【Name】
2-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)THIO]-3-PYRIDAZINEACETONITRILE
【CAS】
【MDL】
MFCD03012688
【English Synonyms】
【Formula】
C18 H9 Cl2 F2 N3 S
【MolWeight】
408.258
【Inchi】
InChI=1S/C18H9Cl2F2N3S/c19-12-2-1-3-13(20)18(12)11(9-23)15-5-7-17(25-24-15)26-16-6-4-10(21)8-14(16)22/h1-8,11H
【InChIKey】
InChIKey=ULYGLIMYXDSDBA-UHFFFAOYSA-N
【SMILES】
c1cc(c(c(c1)Cl)C(C#N)c2ccc(nn2)Sc3ccc(cc3F)F)Cl
【MOL File】
2-(2,6-DICHLOROPHENY….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
2-(2,6-DICHLOROPHENYL)-6-[(2,4-DIFLUOROPHENYL)THIO]-3-PYRIDAZINEACETONITRILE.cml