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CAS 73963-42-5
Also known as: 73963-42-5, 1-cyclohexyl-5-(4-chlorobutyl)-1h-tetrazole, 5-(4-chlorobutyl)-1-cyclohexyltetrazole, 5-(4-chlorobutyl)-1-cyclohexanyl tetrazole, 1h-tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-, 5-(4-chlorobuty)-1-cyclohexyl tetrazol
Molecular Formula
C11H19ClN4
Molecular Weight
242.75  g/mol
InChI Key
INTQSGGUSUSCTJ-UHFFFAOYSA-N

1 2D Structure

CAS 73963-42-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(4-chlorobutyl)-1-cyclohexyltetrazole
2.1.2 InChI
InChI=1S/C11H19ClN4/c12-9-5-4-8-11-13-14-15-16(11)10-6-2-1-3-7-10/h10H,1-9H2
2.1.3 InChI Key
INTQSGGUSUSCTJ-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC(CC1)N2C(=NN=N2)CCCCCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 73963-42-5

2. 1-cyclohexyl-5-(4-chlorobutyl)-1h-tetrazole

3. 5-(4-chlorobutyl)-1-cyclohexyltetrazole

4. 5-(4-chlorobutyl)-1-cyclohexanyl Tetrazole

5. 1h-tetrazole, 5-(4-chlorobutyl)-1-cyclohexyl-

6. 5-(4-chlorobuty)-1-cyclohexyl Tetrazol

7. 5-(4-chlorobuty)-1-cyclohexyl Tetrazole

8. 5-(4-chlorobutyl)-1-cyclohexyl-tetrazole

9. 1-cyclohexyl-5-(4-chlorobutyl)tetrazole

10. Ec 616-036-0

11. Schembl1031402

12. Dtxsid20459132

13. Amy13545

14. Zinc2572703

15. Mfcd01076191

16. Akos015850585

17. Ac-4335

18. Am90306

19. As-12402

20. 1-cyclohexyl-5-(4-chlorobutyl) Tetrazole

21. 1-cyclohexyl-5-(4-chlorobutyl)-tetrazole

22. Db-019141

23. 5-(4chlorobutyl)-1-cyclohexyl-1h-tetrazole

24. Cs-0210299

25. Ft-0664587

26. D87626

27. 963c425

28. A837981

29. J-516221

30. 1-cyclohexyl-5-(4-chlorobutyl)-1,2,3,4-tetrazole

31. 5-(4-chlorobutyl)-1-cyclohexyl-1h-1,2,3,4-tetrazole

32. 5-(4-chlorobuty)-1-cyclohexyl;6-hydroxy-3 Pound Not4-dihydroquinolone

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 242.75 g/mol
Molecular Formula C11H19ClN4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass242.1298243 g/mol
Monoisotopic Mass242.1298243 g/mol
Topological Polar Surface Area43.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity196
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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