765949-02-8
1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-3-(M-TOLYL)UREA
Name1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-3-(M-TOLYL)UREA
1Identification
【Name】
1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-3-(M-TOLYL)UREA
【CAS】
【MDL】
MFCD15530090
【English Synonyms】
【Formula】
C20 H25 B N2 O3
【MolWeight】
352.24
【Inchi】
InChI=1S/C20H25BN2O3/c1-14-7-6-8-17(13-14)23-18(24)22-16-11-9-15(10-12-16)21-25-19(2,3)20(4,5)26-21/h6-13H,1-5H3,(H2,22,23,24)
【InChIKey】
InChIKey=RRBQRXSUDSDIMI-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NC(=O)Nc3cccc(c3)C
【MOL File】
1-(4-(4,4,5,5-TETRAM….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)-3-(M-TOLYL)UREA.cml