CAS 3842-55-5

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Also known as: 3842-55-5, 1,3,5-triazine, 2-chloro-4,6-diphenyl-, Diphenyl chloro-s-triazine, 4,6-diphenyl-2-chloro-s-triazine, Mfcd05738885, Nsc231670

Molecular Formula

C₁₅H₁₀ClN₃

Molecular Weight

267.71 g/mol

InChI Key

DDGPPAMADXTGTN-UHFFFAOYSA-N

1 2D Structure

CAS 3842-55-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-chloro-4,6-diphenyl-1,3,5-triazine

2.1.2 InChI

InChI=1S/C15H10ClN3/c16-15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10H

2.1.3 InChI Key

DDGPPAMADXTGTN-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=CC=C3

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3842-55-5

2. 1,3,5-triazine, 2-chloro-4,6-diphenyl-

3. Diphenyl Chloro-s-triazine

4. 4,6-diphenyl-2-chloro-s-triazine

5. Mfcd05738885

6. Nsc231670

7. Appolo-115

8. 2-chloro-4,6-diphenyl-[1,3,5]triazine

9. Schembl106948

10. Anilinoacetaldehydediethylacetal

11. 2-chloro4,6-diphenyl-s-triazine

12. Dtxsid00274643

13. Zinc343339

14. Akos005145539

15. S-triazine, 2-chloro-4,6-diphenyl-

16. Cs-w010111

17. Ds-1844

18. Nsc 231670

19. Nsc-231670

20. Ol10236

21. 1,5-triazine, 2-chloro-4,6-diphenyl-

22. 2,6-diphenyl-4-chloro-1,3,5-triazine

23. Am808277

24. Da-06264

25. Sy034708

26. 2-chloro-4,6-bisphenyl-1,3,5-triazine

27. 2-chloro-4,6-diphenyl-s-triazine

28. 2-chloranyl-4,6-diphenyl-1,3,5-triazine

29. 2-chloro-[4,6-bisphenyl]-1,3,5-triazine

30. 2-chloro-4,6-diphenyl-1,3,5-triazine #

31. Ft-0698355

32. 842c555

33. A824145

34. J-508718

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₀ClN₃
Molecular Weight	267.71 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	267.0563250 g/mol
Monoisotopic Mass	267.0563250 g/mol
Topological Polar Surface Area	38.7 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	249
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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