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ACTIVE PHARMA INGREDIENTS

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Also known as: Pinacolborane, 25015-63-8, 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-, Pinacolboronane, Boronic acid pinacol ester, 4,4,5,5-tetramethyl-1,3,2-dioxa-borolane

Molecular Formula

C₆H₁₂BO₂

Molecular Weight

126.97 g/mol

InChI Key

LZPWAYBEOJRFAX-UHFFFAOYSA-N

1 2D Structure

Pinacolborane

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/C6H12BO2/c1-5(2)6(3,4)9-7-8-5/h1-4H3

2.1.2 InChI Key

LZPWAYBEOJRFAX-UHFFFAOYSA-N

2.1.3 Canonical SMILES

[B]1OC(C(O1)(C)C)(C)C

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 4,4,5,5-tetramethyl(1,3,2)dioxaborolane

2. Pinacolborane

2.2.2 Depositor-Supplied Synonyms

1. Pinacolborane

2. 25015-63-8

3. 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-

4. Pinacolboronane

5. Boronic Acid Pinacol Ester

6. 4,4,5,5-tetramethyl-1,3,2-dioxa-borolane

7. Mfcd00674030

8. 4,4,5,5-tetramethyl-1,3,2-dioxaborolane Solution

9. Hbpin

10. Pinb-te

11. Ec 607-485-3

12. Schembl80492

13. Pinacolborane, 1.0m In Thf

14. Dtxsid30422852

15. Act02636

16. Bcp24406

17. Ac-783

18. Akos005137948

19. Zinc169743327

20. Cs-w016554

21. As-40957

22. 4,4,5,5-tetramethyl-1,3,2$l^{2}

23. 4,4,5,5-tetramethyl-1,3,2-dioxaborolan

24. 4,4,5,5 Tetramethyl-1,3,2 Dioxaborolane

25. 4,4,5,5-tetramethyl-[1,3,2]dioxaborolan

26. 4,4,5,5-tetramethyl[1,3,2]dioxaborolane

27. Ft-0655126

28. T2572

29. 4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

30. 4,4,5,5-tetramethyl-1,3,22-dioxaborolane

31. 4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane

32. 4,4,5,5,-tetramethyl-[1,3,2]-dioxaborolane

33. A817600

34. (4,4,5,5-tetramethyl-1,3,2-dioxaborole-2-yl)

35. 4,4,5,5-tetramethyl-1,3,2$l^{2}-dioxaborolane

36. 4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 97%

37. 4,4,5,5-tetramethyl-1,3,2-dioxaborolane Solution, 1.0 M In Thf

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂BO₂
Molecular Weight	126.97 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	127.0930348 g/mol
Monoisotopic Mass	127.0930348 g/mol
Topological Polar Surface Area	18.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	106
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Pinacolborane

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ACTIVE PHARMA INGREDIENTS

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