833438-50-9
(4-FLUOROPHENYL) 5-CHLORO-2-METHYLSULFANYLPYRIMIDINE-4-CARBOXYLATE
Name(4-FLUOROPHENYL) 5-CHLORO-2-METHYLSULFANYLPYRIMIDINE-4-CARBOXYLATE
FormulaC12 H8 Cl F N2 O2 S
1Identification
【Name】
(4-FLUOROPHENYL) 5-CHLORO-2-METHYLSULFANYLPYRIMIDINE-4-CARBOXYLATE
【CAS】
【MDL】
MFCD06629690
【English Synonyms】
【Formula】
C12 H8 Cl F N2 O2 S
【MolWeight】
298.724
【Inchi】
InChI=1S/C12H8ClFN2O2S/c1-19-12-15-6-9(13)10(16-12)11(17)18-8-4-2-7(14)3-5-8/h2-6H,1H3
【InChIKey】
InChIKey=UMCJSRNBQMPINR-UHFFFAOYSA-N
【SMILES】
CSc1ncc(c(n1)C(=O)Oc2ccc(cc2)F)Cl
【MOL File】
(4-FLUOROPHENYL) 5-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-FLUOROPHENYL) 5-CHLORO-2-METHYLSULFANYLPYRIMIDINE-4-CARBOXYLATE.cml