CAS 133051-88-4

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Also known as: 133051-88-4, 5-[2-[4-(bromomethyl)phenyl]phenyl]-2-trityltetrazole, 5-[4'-bromomethyl-(1,1'-biphenyl)-2-yl]-2-triphenylmethyltetrazole, 5-[4'-(bromomethyl)-[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2h-tetrazole, 5-[4'-(bromomethyl)biphenyl-2-yl]-2-trityl-2h-tetrazole, 5-[4'-(bromomethyl)-1,1'-biphenyl-2-yl]-2-triphenylmethyl-2h-tetrazole

Molecular Formula

C₃₃H₂₅BrN₄

Molecular Weight

557.5 g/mol

InChI Key

WROIFZUSIQAQBZ-UHFFFAOYSA-N

1 2D Structure

CAS 133051-88-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[2-[4-(bromomethyl)phenyl]phenyl]-2-trityltetrazole

2.1.2 InChI

InChI=1S/C33H25BrN4/c34-24-25-20-22-26(23-21-25)30-18-10-11-19-31(30)32-35-37-38(36-32)33(27-12-4-1-5-13-27,28-14-6-2-7-15-28)29-16-8-3-9-17-29/h1-23H,24H2

2.1.3 InChI Key

WROIFZUSIQAQBZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4N=C(N=N4)C5=CC=CC=C5C6=CC=C(C=C6)CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 133051-88-4

2. 5-[2-[4-(bromomethyl)phenyl]phenyl]-2-trityltetrazole

3. 5-[4'-bromomethyl-(1,1'-biphenyl)-2-yl]-2-triphenylmethyltetrazole

4. 5-[4'-(bromomethyl)-[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2h-tetrazole

5. 5-[4'-(bromomethyl)biphenyl-2-yl]-2-trityl-2h-tetrazole

6. 5-[4'-(bromomethyl)-1,1'-biphenyl-2-yl]-2-triphenylmethyl-2h-tetrazole

7. 5-[4'-(bromomethyl)[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2h-tetrazole

8. Schembl3875056

9. Mfcd08274767

10. Zinc97973146

11. 2h-tetrazole,5-[4'-(bromomethyl)[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-

12. Akos015911745

13. As-73162

14. B5933

15. 051b884

16. 2-trityl-5-[4'-(bromomethyl)biphenyl-2-yl]-tetrazole

17. 4-bromomethyl-[2'-(2-trityl-2h-tetrazol-5-yl)]biphenyl

18. 4'-bromomethyl-2-(2-triphenylmethyl-tetrazol-5-yl)-biphenyl

19. 4-bromomethyl-2'-(2-(triphenylmethyl)tetrazol-5-yl)-biphenyl

20. 5-[2-(4-bromomethylphenyl)phenyl]-2-triphenylmethyl-tetrazole

21. [4-[2-(3-triphenylmethyl-3h-tetrazol-5-yl)phenyl]phenyl]methylbromide

22. 5-(4'-bromomethyl-1,1'-biphenyl-2-yl)-2-triphenylmethyl-2h-tetrazole

23. 5-(4'-bromomethyl-1,1'-biphenyl-2-yl)-2triphenylmethyl-2h-tetrazole

24. 5-(4-(bromomethyl)-[1,1-biphenyl]-2-yl)-2-trityl-2h-tetrazole

25. 5-[4-(bromomethyl)-[1,1-biphenyl]-2-yl]-2-(triphenylmethyl)-2h-tetrazole

26. 5-[4'-(bromomethyl)-[1,1'-biphenyl]-2-yl]-2-(triphenylmethyl)-2h-1,2,3,4-tetrazole

27. 5-[4 Inverted Exclamation Mark -bromomethyl-(1,1 Inverted Exclamation Mark -biphenyl)-2-yl]-2-triphenylmethyltetrazole

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₂₅BrN₄
Molecular Weight	557.5 g/mol
XLogP3	8.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Exact Mass	556.12626 g/mol
Monoisotopic Mass	556.12626 g/mol
Topological Polar Surface Area	43.6 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	660
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