926266-96-8
2-(4-BROMOPHENYL)-4-[(2-CHLORO-4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYLPYRIMIDINE-5-CARBOXYLIC ACID
Name2-(4-BROMOPHENYL)-4-[(2-CHLORO-4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYLPYRIMIDINE-5-CARBOXYLIC ACID
pro_formulaC19 H13 Br Cl F N2 O2 S
1Identification
【Name】
2-(4-BROMOPHENYL)-4-[(2-CHLORO-4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYLPYRIMIDINE-5-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09043265
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H13 Br Cl F N2 O2 S
【pro_molWeight】
467.745
【Inchi】
InChI=1S/C19H13BrClFN2O2S/c1-10-16(19(25)26)18(27-9-12-4-7-14(22)8-15(12)21)24-17(23-10)11-2-5-13(20)6-3-11/h2-8H,9H2,1H3,(H,25,26)
【InChIKey】
InChIKey=TULLXGRXCNSEAP-UHFFFAOYSA-N
【SMILES】
Cc1c(c(nc(n1)c2ccc(cc2)Br)SCc3ccc(cc3Cl)F)C(=O)O
【MOL File】
2-(4-BROMOPHENYL)-4-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(4-BROMOPHENYL)-4-[(2-CHLORO-4-FLUOROPHENYL)METHYLSULFANYL]-6-METHYLPYRIMIDINE-5-CARBOXYLIC ACID.cml