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Also known as: 626-39-1, Benzene, 1,3,5-tribromo-, 1,3,5-tribromo-benzene, O3td0u1oaq, Mfcd00000080, Nsc-62439
Molecular Formula
C6H3Br3
Molecular Weight
314.80  g/mol
InChI Key
YWDUZLFWHVQCHY-UHFFFAOYSA-N
FDA UNII
O3TD0U1OAQ

CAS 626-39-1
1 2D Structure

CAS 626-39-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1,3,5-tribromobenzene
2.1.2 InChI
InChI=1S/C6H3Br3/c7-4-1-5(8)3-6(9)2-4/h1-3H
2.1.3 InChI Key
YWDUZLFWHVQCHY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C=C1Br)Br)Br
2.2 Other Identifiers
2.2.1 UNII
O3TD0U1OAQ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 626-39-1

2. Benzene, 1,3,5-tribromo-

3. 1,3,5-tribromo-benzene

4. O3td0u1oaq

5. Mfcd00000080

6. Nsc-62439

7. Einecs 210-947-3

8. Unii-o3td0u1oaq

9. Nsc 62439

10. Ai3-15483

11. Nsc62439

12. 1,5-tribromobenzene

13. 1,3,5-tribromobezene

14. Benzene,3,5-tribromo-

15. Dsstox_cid_30879

16. Nciopen2_008123

17. Dsstox_gsid_52307

18. Schembl24617

19. Dtxsid3052307

20. 1,3,5-tribromobenzene, 98%

21. 1,3,5-tribromo Benzene

22. Zinc388250

23. Act03250

24. Tox21_303951

25. Cx1334

26. Akos009031625

27. Gs-3046

28. Ncgc00357185-01

29. Cas-626-39-1

30. Sy006267

31. Db-005629

32. Am20061088

33. Cs-0019382

34. T0347

35. En300-20007

36. 26t391

37. 1,3,5-tribromobenzene, Purum, >=98.0% (at)

38. A833903

39. W-104975

40. Q27285289

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 314.80 g/mol
Molecular Formula C6H3Br3
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass313.77644 g/mol
Monoisotopic Mass311.77849 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count9
Formal Charge0
Complexity63.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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