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Home > Boronic Acids > 158780-80-4
158780-80-4 | 2,2'-Bi-1,3,2-benzodioxaborole, 5,5'-bis(1,1-dimethylethyl)-
CAS No: 158780-80-4 Catalog No: AG001QUU MDL No:
Product Description
Catalog Number:
AG001QUU
Chemical Name:
2,2'-Bi-1,3,2-benzodioxaborole, 5,5'-bis(1,1-dimethylethyl)-
CAS Number:
158780-80-4
Molecular Formula:
C20H24B2O4
Molecular Weight:
350.0242
IUPAC Name:
5-tert-butyl-2-(5-tert-butyl-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
InChI:
InChI=1S/C20H24B2O4/c1-19(2,3)13-7-9-15-17(11-13)25-21(23-15)22-24-16-10-8-14(20(4,5)6)12-18(16)26-22/h7-12H,1-6H3
InChI Key:
WRTIRXMBLZCZLZ-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)OB(O2)B1Oc2c(O1)ccc(c2)C(C)(C)C)(C)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.186g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.028g/mol
Monoisotopic Mass:
350.186g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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