796967-18-5
1-(2-FLUORO-5-METHYLPHENYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
Name1-(2-FLUORO-5-METHYLPHENYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
pro_formulaC20 H24 B F N2 O3
1Identification
【Name】
1-(2-FLUORO-5-METHYLPHENYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA
【CAS】
【MDL】
MFCD16877441
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H24 B F N2 O3
【pro_molWeight】
370.23
【Inchi】
InChI=1S/C20H24BFN2O3/c1-13-6-11-16(22)17(12-13)24-18(25)23-15-9-7-14(8-10-15)21-26-19(2,3)20(4,5)27-21/h6-12H,1-5H3,(H2,23,24,25)
【InChIKey】
InChIKey=UXOFPHPAEAVMKW-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NC(=O)Nc3cc(ccc3F)C
【MOL File】
1-(2-FLUORO-5-METHYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
1-(2-FLUORO-5-METHYLPHENYL)-3-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)UREA.cml