Home Boronic Acids 1073353-94-2
1073353-94-2,MFCD10699702
Catalog No.:AA003I8Q
1073353-94-2 | 3,3'-(Ethane-1,2-diylbis(oxy))bis(3,1-phenylene)diboronic acid, pinacol ester
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250mg
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1g
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Technical Information
Catalog Number:
AA003I8Q
Chemical Name:
3,3'-(Ethane-1,2-diylbis(oxy))bis(3,1-phenylene)diboronic acid, pinacol ester
CAS Number:
1073353-94-2
Molecular Formula:
C26H36B2O6
Molecular Weight:
466.1824
MDL Number:
MFCD10699702
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C26H36B2O6/c1-23(2)24(3,4)32-27(31-23)19-11-9-13-21(17-19)29-15-16-30-22-14-10-12-20(18-22)28-33-25(5,6)26(7,8)34-28/h9-14,17-18H,15-16H2,1-8H3
InChI Key:
YWPDALDGIWYANS-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)OCCOc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
607  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
466.27g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
466.188g/mol
Monoisotopic Mass:
466.27g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1073353-94-2 
1,2-Bis(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethane 
OR361182 
TR-001725 
A-4816 
1,2-Bis(3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenoxy)ethane 
1,2-Bis-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)ethane 
3,3-(Ethane-1,2-diylbis(oxy))bis(3,1-phenylene)diboronic acid, pinacol ester 
2,2'-[Ethane-1,2-diylbis(oxy-3,1-phenylene)]bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane) 
3,3'-(Ethane-1,2-diylbis(oxy))bis(3,1-phenylene)diboronic acid,pinacol ester 
3,3'-(Ethane-1,2-diylbis(oxy))bis(3,1-phenylene)diboronic acid, pinacol ester 
CTK4A5366 
DTXSID60674483 
ANW-41816 
MFCD10699702 
AKOS015842275 
ZINC169903937 
RTR-001725 
Literature
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