CAS Registry Number: 1084953-16-1

Name:

Benzoic acid, 5-​fluoro-​2-​methoxy-​4-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​-​, methyl ester
Methyl 5-​fluoro-​2-​methoxy-​4-​(4,​4,​5,​5-​tetramethyl-​1,​3,​2-​dioxaborolan-​2-​yl)​benzoate 

Chemical Formula: C15H20BFO5
Exact Mass: 310.14
Molecular Weight: 310.13
m/z: 310.14 (100.0%), 309.14 (24.8%), 311.14 (16.4%), 310.15 (4.1%), 312.15 (1.4%), 312.14 (1.0%)
Elemental Analysis: C, 58.09; H, 6.50; B, 3.49; F, 6.13; O, 25.80

InChI: InChI=1S/C15H20BFO5/c1-14(2)15(3,4)22-16(21-14)10-8-12(19-5)9(7-11(10)17)13(18)20-6/h7-8H,1-6H3
InChIKey: VZJZKGIGBWJTQU-UHFFFAOYSA-N
Canonical SMILES : B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2F)C(=O)OC)OC

Specification

98%

PCT Int. Appl. (2014), WO 2014026327 A1 20140220. 

PCT Int. Appl. (2014), WO 2014028589 A2 20140220.