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Home > Boronic Acids > 158780-81-5
158780-81-5 | 2,2'-Bi-1,3,2-benzodioxaborole, 4,4',6,6'-tetrakis(1,1-dimethylethyl)-
CAS No: 158780-81-5 Catalog No: AG001QUT MDL No:
Product Description
Catalog Number:
AG001QUT
Chemical Name:
2,2'-Bi-1,3,2-benzodioxaborole, 4,4',6,6'-tetrakis(1,1-dimethylethyl)-
CAS Number:
158780-81-5
Molecular Formula:
C28H40B2O4
Molecular Weight:
462.2368
IUPAC Name:
4,6-ditert-butyl-2-(4,6-ditert-butyl-1,3,2-benzodioxaborol-2-yl)-1,3,2-benzodioxaborole
InChI:
InChI=1S/C28H40B2O4/c1-25(2,3)17-13-19(27(7,8)9)23-21(15-17)31-29(33-23)30-32-22-16-18(26(4,5)6)14-20(24(22)34-30)28(10,11)12/h13-16H,1-12H3
InChI Key:
GQXVWEZZPLBNRD-UHFFFAOYSA-N
SMILES:
CC(c1cc2OB(Oc2c(c1)C(C)(C)C)B1Oc2c(O1)cc(cc2C(C)(C)C)C(C)(C)C)(C)C
Properties
Complexity:
667
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.311g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
462.244g/mol
Monoisotopic Mass:
462.311g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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