865425-40-7
4-(4-BROMOPHENYL)-6-(DIFLUOROMETHYL)-2-(ETHYLSULFONYL)PYRIMIDINE
Name4-(4-BROMOPHENYL)-6-(DIFLUOROMETHYL)-2-(ETHYLSULFONYL)PYRIMIDINE
FormulaC13 H11 Br F2 N2 O2 S
1Identification
【Name】
4-(4-BROMOPHENYL)-6-(DIFLUOROMETHYL)-2-(ETHYLSULFONYL)PYRIMIDINE
【CAS】
【MDL】
MFCD05861687
【English Synonyms】
【Formula】
C13 H11 Br F2 N2 O2 S
【MolWeight】
377.208
【Inchi】
InChI=1S/C13H11BrF2N2O2S/c1-2-21(19,20)13-17-10(7-11(18-13)12(15)16)8-3-5-9(14)6-4-8/h3-7,12H,2H2,1H3
【InChIKey】
InChIKey=ROFHUFLKDWIEQA-UHFFFAOYSA-N
【SMILES】
CCS(=O)(=O)c1nc(cc(n1)C(F)F)c2ccc(cc2)Br
【MOL File】
4-(4-BROMOPHENYL)-6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-BROMOPHENYL)-6-(DIFLUOROMETHYL)-2-(ETHYLSULFONYL)PYRIMIDINE.cml