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Also known as: 61676-62-8, Isopropoxyboronic acid pinacol ester, Isopropoxyboronic acid, pinacol ester, 4,4,5,5-tetramethyl-2-(propan-2-yloxy)-1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane, 2-isopropoxy-4,4,5,5-dimethyl-1,3,2-dioxaborolane
Molecular Formula
C9H19BO3
Molecular Weight
186.06  g/mol
InChI Key
MRWWWZLJWNIEEJ-UHFFFAOYSA-N

CAS 61676-62-8
1 2D Structure

CAS 61676-62-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
2.1.2 InChI
InChI=1S/C9H19BO3/c1-7(2)11-10-12-8(3,4)9(5,6)13-10/h7H,1-6H3
2.1.3 InChI Key
MRWWWZLJWNIEEJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)OC(C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 61676-62-8

2. Isopropoxyboronic Acid Pinacol Ester

3. Isopropoxyboronic Acid, Pinacol Ester

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

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

6. 2-isopropoxy-4,4,5,5-dimethyl-1,3,2-dioxaborolane

7. Mfcd00192241

8. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxa-borolane

9. 1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-(1-methylethoxy)-

10. 2-iso-propoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

11. 2-isopropoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

12. C9h19bo3

13. Pinbop

14. Schembl9839

15. Dtxsid20407552

16. Act08948

17. Bcp12838

18. Cs-d0245

19. Str09262

20. Akos004116363

21. Ab04651

22. Am20100506

23. Ft-0612702

24. I0658

25. En300-123725

26. Isopropyl Dihydrogen Borate Pinacol Ester

27. A833359

28. J-521562

29. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborole

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

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

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

33. 2-iso-propoxy-4,4,5,5-tetramethyl-[1,3,2]dioxaborolane

34. 2-isopropoxy-4,4,5,5-tetramethyl-[1,3,2]-dioxaborolane

35. 2-isopropyloxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

36. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 98%

37. 2-isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(isopropoxyboronic Acid Pinacol Ester

38. 2-methoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane(methoxyboronic Acid Pinacol Ester)

2.3 Create Date
2005-09-18
3 Chemical and Physical Properties
Molecular Weight 186.06 g/mol
Molecular Formula C9H19BO3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area27.7
Heavy Atom Count13
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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