220210-56-0

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 220210-56-0, 3-tert-butoxycarbonylphenylboronic acid, 3-(t-butoxycarbonyl)phenylboronic acid, 3-t-butoxycarbonylphenylboronic acid, (3-(tert-butoxycarbonyl)phenyl)boronic acid, [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid

Molecular Formula

C₁₁H₁₅BO₄

Molecular Weight

222.05 g/mol

InChI Key

HVJDVHCPCSZDSR-UHFFFAOYSA-N

1 2D Structure

220210-56-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid

2.1.2 InChI

InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7,14-15H,1-3H3

2.1.3 InChI Key

HVJDVHCPCSZDSR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B(C1=CC(=CC=C1)C(=O)OC(C)(C)C)(O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 220210-56-0

2. 3-tert-butoxycarbonylphenylboronic Acid

3. 3-(t-butoxycarbonyl)phenylboronic Acid

4. 3-t-butoxycarbonylphenylboronic Acid

5. (3-(tert-butoxycarbonyl)phenyl)boronic Acid

6. [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic Acid

7. 3-(tert-butoxycarbonyl)benzeneboronic Acid

8. Mfcd01630855

9. [3-(tert-butoxycarbonyl)phenyl]boronic Acid

10. {3-[(tert-butoxy)carbonyl]phenyl}boronic Acid

11. Tert-butyl 3-boronobenzoate

12. 3-(tert-butoxycarbonylphenyl)boronic Acid

13. (3-tert-butoxycarbonylphenyl)boronic Acid

14. Boc-3-phenylboronic Acid

15. Schembl521171

16. Dtxsid40378351

17. Bcp15386

18. Cs-m2539

19. 3-t-butoxycarboxylphenylboronic Acid

20. 3-t-butoxycarbonyl Phenyl Boronic Acid

21. Akos005146522

22. Zinc169744977

23. Ab09321

24. Am84781

25. 3-tert-butoxycarbonylbenzeneboronic Acid

26. Ncgc00249537-01

27. 3-(tertbutoxycarbonyl)-phenylboronic Acid

28. As-15071

29. Sy025720

30. 3-(tert-butoxycarbonyl)-phenylboronic Acid

31. 3-(tert-butoxycarbonyl)phenyl-boronic Acid

32. 3-(tert-butoxycarbonylphenyl) Boronic Acid

33. 3-(tert-butoxycarbonyl)benzene Boronic Acid

34. Db-021748

35. B4726

36. Ft-0644020

37. M-(dihydroxyboryl)benzoic Acid Tert-butyl Ester

38. 716b472

39. A815834

40. J-510983

41. (3-tert-butoxycarbonylphenyl)boronic Acid;3-tert-butoxycarbonylphenylboronic Acid

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₅BO₄
Molecular Weight	222.05 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	222.1063391 g/mol
Monoisotopic Mass	222.1063391 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	247
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