365564-05-2
1,3,5-PHENYLTRIBORONIC ACID, TRIS(PINACOL) ESTER
Name1,3,5-PHENYLTRIBORONIC ACID, TRIS(PINACOL) ESTER
1Identification
【Name】
1,3,5-PHENYLTRIBORONIC ACID, TRIS(PINACOL) ESTER
【CAS】
【MDL】
MFCD17167305
【English Synonyms】
【Formula】
C24 H39 B3 O6
【MolWeight】
455.999
【Inchi】
InChI=1S/C24H39B3O6/c1-19(2)20(3,4)29-25(28-19)16-13-17(26-30-21(5,6)22(7,8)31-26)15-18(14-16)27-32-23(9,10)24(11,12)33-27/h13-15H,1-12H3
【InChIKey】
InChIKey=VKOLBYNBPONPAE-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)B3OC(C(O3)(C)C)(C)C)B4OC(C(O4)(C)C)(C)C
【MOL File】
1,3,5-PHENYLTRIBORON….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1,3,5-PHENYLTRIBORONIC ACID, TRIS(PINACOL) ESTER.cml