269409-70-3

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Also known as: 269409-70-3, 4-hydroxyphenylboronic acid pinacol ester, 4-hydroxyphenylboronic acid, pinacol ester, Mfcd02093756, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol, 4-hydroxyphenylboronic acid pinacol cyclic ester

Molecular Formula

C₁₂H₁₇BO₃

Molecular Weight

220.07 g/mol

InChI Key

BICZJRAGTCRORZ-UHFFFAOYSA-N

1 2D Structure

CAS 269409-70-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

2.1.2 InChI

InChI=1S/C12H17BO3/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8,14H,1-4H3

2.1.3 InChI Key

BICZJRAGTCRORZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 269409-70-3

2. 4-hydroxyphenylboronic Acid Pinacol Ester

3. 4-hydroxyphenylboronic Acid, Pinacol Ester

4. Mfcd02093756

5. 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

6. 4-hydroxyphenylboronic Acid Pinacol Cyclic Ester

7. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-phenol

8. 2-(4-hydroxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

9. Phenol, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

10. (4-hydroxyphenyl)boronic Acid Pinacol Ester

11. Schembl102562

12. 4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)phenol

13. Dtxsid70370404

14. 3-hydroxy-2,3-dimethylbutan-2-yl Hydrogen 4-hydroxyphenylboronate

15. Inverted Exclamation Marky97%(gc)

16. Akos015915429

17. Ab10835

18. As-2606

19. Cs-w002879

20. Hy-w002879

21. Pb42436

22. Sy020873

23. 4-hydroxybenzene Boronic Acid Pinacol Ester

24. 4-hydroxybenzeneboronic Acid, Pinacol Ester

25. Am20060974

26. T1954

27. 4-hydroxyphenylboronic Acid Pinacol Ester, 97%

28. En300-316486

29. A818720

30. J-016615

31. Z1741960628

32. 4-(4,4,5,5,-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

33. 4-(4,4,5,5-tetramethyl 1,3,2-dioxaborolan-2-yl-)phenol

34. 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenol

35. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl) Phenol

36. 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2yl)phenol

37. 4-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)phenol

38. 4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-phenol

39. 4-[4,4,5,5tetramethyl-1,3,2-dioxaborolan-2-yl]-phenol

40. 4-(4,4,5,5-tetramethyl 1,3,2-dioxaborolan-2-yl-) Phenol

41. 4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)-phenol

42. 4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenol

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₇BO₃
Molecular Weight	220.07 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	38.7
Heavy Atom Count	16
Formal Charge	0
Complexity	241
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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