926215-29-4
4-[(2-CHLORO-4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
Name4-[(2-CHLORO-4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
pro_formulaC19 H14 Cl F N2 O2 S
1Identification
【Name】
4-[(2-CHLORO-4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09043196
【EnglishSynonyms】
【pro_formula】
C19 H14 Cl F N2 O2 S
【pro_molWeight】
388.849
【Inchi】
InChI=1S/C19H14ClFN2O2S/c1-11-16(19(24)25)18(23-17(22-11)12-5-3-2-4-6-12)26-10-13-7-8-14(21)9-15(13)20/h2-9H,10H2,1H3,(H,24,25)
【InChIKey】
InChIKey=NLFBUGHQEXLQBI-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)c2ccccc2)SCc3ccc(cc3Cl)F)C(=O)O
【MOL File】
4-[(2-CHLORO-4-FLUOR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
4-[(2-CHLORO-4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYL-2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACID.cml