Please Wait
Applying Filters...
Xls
2D Structure
Also known as: 126747-14-6, (4-cyanophenyl)boronic acid, 4-cyanobenzeneboronic acid, P-cyanophenylboronic acid, 4-cyanophenyl boronic acid, 4-cyano-phenyl-boronic acid
Molecular Formula
C7H6BNO2
Molecular Weight
146.94  g/mol
InChI Key
CEBAHYWORUOILU-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4-cyanophenyl)boronic acid
2.1.2 InChI
InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H
2.1.3 InChI Key
CEBAHYWORUOILU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B(C1=CC=C(C=C1)C#N)(O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 126747-14-6

2. (4-cyanophenyl)boronic Acid

3. 4-cyanobenzeneboronic Acid

4. P-cyanophenylboronic Acid

5. 4-cyanophenyl Boronic Acid

6. 4-cyano-phenyl-boronic Acid

7. Mfcd01318968

8. 4-(dihydroxyboranyl)benzonitrile

9. 4-cyanobenzene Boronic Acid

10. Boronic Acid, (4-cyanophenyl)-

11. (4-cyano-phenyl)boronic Acid

12. 4-cyanoplienylboronic Acid

13. 4-cyano Phenylboronic Acid

14. 4-cyano-phenylboronic Acid

15. 4-cyanophenyl-boronic Acid

16. Para-cyanophenylboronic Acid

17. 4-cyano-benzeneboronic Acid

18. Schembl6016

19. 4-cyano Phenyl Boronic Acid

20. (4-cyanophenyl) Boronic Acid

21. (4-cyano-phenyl)-boronic Acid

22. Chembl500339

23. B-(4-cyanophenyl)-boronic Acid

24. Amba00052

25. Bdbm26131

26. Dtxsid20370217

27. Act02184

28. Bcp12932

29. Cs-b0849

30. Bbl101374

31. Stl555170

32. Akos004116072

33. Zinc169743231

34. Ab08783

35. Ac-1101

36. As-2262

37. Sy005370

38. Boronic Acid, B-(4-cyanophenyl)-

39. Db-025193

40. Am20060345

41. C1778

42. Ft-0602412

43. En300-59658

44. 747c146

45. A805597

46. J-005431

47. J-515232

48. Fmoc-3-amino-3-(4-chlorophenyl)propionicacid

49. Z1741960586

50. 4-cyanophenylboronic Acid (contains Varying Amounts Of Anhydride)

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 146.94 g/mol
Molecular Formula C7H6BNO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass147.0491586 g/mol
Monoisotopic Mass147.0491586 g/mol
Topological Polar Surface Area64.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity167
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1