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Chemistry

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Also known as: 84110-40-7, Isobutaneboronic acid, 2-methylpropylboronic acid, (2-methylpropyl)boronic acid, 1-isobutaneboronic acid, Isobutylboric acid
Molecular Formula
C4H11BO2
Molecular Weight
101.94  g/mol
InChI Key
ZAZPDOYUCVFPOI-UHFFFAOYSA-N
FDA UNII
KHX76H7JHZ

Isobutaneboronic Acid
1 2D Structure

Isobutaneboronic Acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-methylpropylboronic acid
2.1.2 InChI
InChI=1S/C4H11BO2/c1-4(2)3-5(6)7/h4,6-7H,3H2,1-2H3
2.1.3 InChI Key
ZAZPDOYUCVFPOI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B(CC(C)C)(O)O
2.2 Other Identifiers
2.2.1 UNII
KHX76H7JHZ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 84110-40-7

2. Isobutaneboronic Acid

3. 2-methylpropylboronic Acid

4. (2-methylpropyl)boronic Acid

5. 1-isobutaneboronic Acid

6. Isobutylboric Acid

7. Boronic Acid, B-(2-methylpropyl)-

8. Boronic Acid, (2-methylpropyl)-

9. Mfcd00134156

10. Khx76h7jhz

11. 2-methylpropaneboronic Acid

12. 2-methylpropane Boronic Acid

13. B-(2-methylpropyl)boronic Acid

14. (2-methylpropyl)boronicacid

15. 2-methylprop-1-ylboronic Acid

16. Isobutylboronicacid

17. Isobutyl Boronic Acid

18. 2-methylpropylboroic Acid

19. I-bub(oh)2

20. Unii-khx76h7jhz

21. 2-methylpropyl Boronic Acid

22. 2-methyl Propyl Boroic Acid

23. Schembl125840

24. 2-methyl-1-propylboronic Acid

25. 2-methyl-1-propaneboronic Acid

26. Dtxsid70370282

27. Act11280

28. Bcp12813

29. Akos000264708

30. Zinc169743280

31. Ab03722

32. Am80872

33. As-3103

34. Cs-w000978

35. Ac-24794

36. Sy002441

37. (2-methylpropyl)boronic Acid, >=95.0%

38. Db-010478

39. Ft-0648068

40. I0597

41. En300-74361

42. Q-101087

43. F0001-2138

44. Z1741970613

2.4 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 101.94 g/mol
Molecular Formula C4H11BO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass102.0852098 g/mol
Monoisotopic Mass102.0852098 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity45
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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