2,3,5,6-Tetrabromobenzene;Benzene,1,2,4,5-tetrabromo-;I,2,4,5-Tetrabrombenzol

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Also known as: 636-28-2, Benzene, 1,2,4,5-tetrabromo-, 2,3,5,6-tetrabromobenzene, M25dk66lcz, Nsc-27002, Mfcd00000063

Molecular Formula

C₆H₂Br₄

Molecular Weight

393.70 g/mol

InChI Key

QCKHVNQHBOGZER-UHFFFAOYSA-N

FDA UNII

M25DK66LCZ

1 2D Structure

CAS 636-28-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2,4,5-tetrabromobenzene

2.1.2 InChI

InChI=1S/C6H2Br4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H

2.1.3 InChI Key

QCKHVNQHBOGZER-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=CC(=C1Br)Br)Br)Br

2.2 Other Identifiers

2.2.1 UNII

M25DK66LCZ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2,4,5-tetrabb

2.3.2 Depositor-Supplied Synonyms

1. 636-28-2

2. Benzene, 1,2,4,5-tetrabromo-

3. 2,3,5,6-tetrabromobenzene

4. M25dk66lcz

5. Nsc-27002

6. Mfcd00000063

7. Einecs 211-253-3

8. Nsc 27002

9. Unii-m25dk66lcz

10. Nsc27002

11. 1,4,5-tetrabromobenzene

12. 2,5,6-tetrabromobenzene

13. Benzene,2,4,5-tetrabromo-

14. Schembl356698

15. P-toluidine, A,a,a-triphenyl-

16. Dtxsid7060910

17. Zinc638920

18. Act12775

19. Amy14172

20. 1,2,4,5-tetrabromobenzene, 97%

21. Akos004903728

22. Ac-26095

23. As-33092

24. Cs-0110360

25. Ft-0606238

26. T0031

27. A20884

28. Q27283377

29. 2,3,5,6-tetrabromobenzene;benzene,1,2,4,5-tetrabromo-;i,2,4,5-tetrabrombenzol

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₂Br₄
Molecular Weight	393.70 g/mol
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	393.68490 g/mol
Monoisotopic Mass	389.68900 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	90.3
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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