Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 4441-56-9, Cyclohexylboronicacid, Boronic acid, cyclohexyl-, Cyclohexaneboronic acid, Cyclohexyl boronic acid, Mfcd01311824
Molecular Formula
C6H13BO2
Molecular Weight
127.98  g/mol
InChI Key
XDRVAZAFNWDVOE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
cyclohexylboronic acid
2.1.2 InChI
InChI=1S/C6H13BO2/c8-7(9)6-4-2-1-3-5-6/h6,8-9H,1-5H2
2.1.3 InChI Key
XDRVAZAFNWDVOE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
B(C1CCCCC1)(O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 4441-56-9

2. Cyclohexylboronicacid

3. Boronic Acid, Cyclohexyl-

4. Cyclohexaneboronic Acid

5. Cyclohexyl Boronic Acid

6. Mfcd01311824

7. Brn 1921820

8. Boronic Acid, Cyclohexyl- (9ci)

9. Cyclohexylboranediol

10. 4-16-00-01653 (beilstein Handbook Reference)

11. Schembl127115

12. Dtxsid30196162

13. Bcp22758

14. Bbl102850

15. Stl556658

16. Akos001013988

17. Zinc169743232

18. Ab08478

19. Ac-9537

20. Bcp9000567

21. Cs-w007574

22. Gs-6574

23. Sy008103

24. Db-009646

25. Am20070527

26. Ft-0601791

27. J-520170

28. Z56789446

29. F0001-1209

2.3 Create Date
2005-07-19
3 Chemical and Physical Properties
Molecular Weight 127.98 g/mol
Molecular Formula C6H13BO2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass128.1008598 g/mol
Monoisotopic Mass128.1008598 g/mol
Topological Polar Surface Area40.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity79.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1