870083-94-6
4-(3,4-DICHLOROPHENYL)-2-(ETHYLSULFONYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE
Name4-(3,4-DICHLOROPHENYL)-2-(ETHYLSULFONYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE
FormulaC13 H9 Cl2 F3 N2 O2 S
1Identification
【Name】
4-(3,4-DICHLOROPHENYL)-2-(ETHYLSULFONYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE
【CAS】
【MDL】
MFCD05861686
【English Synonyms】
【Formula】
C13 H9 Cl2 F3 N2 O2 S
【MolWeight】
385.192
【Inchi】
InChI=1S/C13H9Cl2F3N2O2S/c1-2-23(21,22)12-19-10(6-11(20-12)13(16,17)18)7-3-4-8(14)9(15)5-7/h3-6H,2H2,1H3
【InChIKey】
InChIKey=VSQYHJREUGMOFI-UHFFFAOYSA-N
【SMILES】
CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)c2ccc(c(c2)Cl)Cl
【MOL File】
4-(3,4-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(3,4-DICHLOROPHENYL)-2-(ETHYLSULFONYL)-6-(TRIFLUOROMETHYL)PYRIMIDINE.cml