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Technical details about Catecholborane, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: Catecholborane, 274-07-7, Benzo[d][1,3,2]dioxaborole, Benzcatechinborane, Catecholatoborane, Pyrocatecholborane
Molecular Formula
C6H4BO2
Molecular Weight
118.91  g/mol
InChI Key
ZDQWVKDDJDIVAL-UHFFFAOYSA-N
FDA UNII
UB69382H5J

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C6H4BO2/c1-2-4-6-5(3-1)8-7-9-6/h1-4H
2.1.2 InChI Key
ZDQWVKDDJDIVAL-UHFFFAOYSA-N
2.1.3 Canonical SMILES
[B]1OC2=CC=CC=C2O1
2.2 Other Identifiers
2.2.1 UNII
UB69382H5J
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Catecholborane

2. 274-07-7

3. Benzo[d][1,3,2]dioxaborole

4. Benzcatechinborane

5. Catecholatoborane

6. Pyrocatecholborane

7. Benzo[1,3,2]dioxaborole

8. Cb; Catecholatoborane

9. Cid 67506

10. Catecholborane Solution

11. Mfcd00005846

12. 1,3,2-benzodioxaborolane

13. Catechol Borane

14. 1,3,2$l^{2}-benzodioxaborole

15. Catecholborane, 98%

16. 1,3,22-benzodioxaborole

17. Catecholborane [mi]

18. Schembl7747

19. 2h-1,3,2-benzodioxaborole

20. Dtxsid3059769

21. Catechol Borane 50% In Toluene

22. Act09441

23. Amy14855

24. Bcp15959

25. 1,3-dioxa-2-bora(iv)-2h-indene

26. Catecholborane, 50% W/w In Toluene

27. Akos015909822

28. Zinc169743063

29. Zinc169954692

30. Catecholborane Solution, 1.0 M In Thf

31. As-55580

32. Db-047216

33. Ft-0606485

34. A819050

35. Q730606

36. J-519721

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 118.91 g/mol
Molecular Formula C6H4BO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass119.0304345 g/mol
Monoisotopic Mass119.0304345 g/mol
Topological Polar Surface Area18.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity95.2
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1