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2D Structure
Also known as: 2,4-dibromomesitylene, 6942-99-0, Benzene, 2,4-dibromo-1,3,5-trimethyl-, Mesitylene, 2,4-dibromo-, P-brommesitylbromid, Nsc51629
Molecular Formula
C9H10Br2
Molecular Weight
277.98  g/mol
InChI Key
CIHJFEWFZJQTFE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,4-dibromo-1,3,5-trimethylbenzene
2.1.2 InChI
InChI=1S/C9H10Br2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,1-3H3
2.1.3 InChI Key
CIHJFEWFZJQTFE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC(=C(C(=C1Br)C)Br)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2,4-dibromomesitylene

2. 6942-99-0

3. Benzene, 2,4-dibromo-1,3,5-trimethyl-

4. Mesitylene, 2,4-dibromo-

5. P-brommesitylbromid

6. Nsc51629

7. Einecs 230-100-1

8. Mesitylene,4-dibromo-

9. Schembl356846

10. 2,4-dibromomesitylene, 98%

11. Dtxsid00219579

12. Act12592

13. Amy14152

14. Zinc2560383

15. 2,4-dibromo-1,3,5-trimethylbenze

16. Mfcd00013525

17. Nsc 51629

18. Nsc-51629

19. 1,3-dibromo-2,4,6-trimethylbenzene

20. Akos015889009

21. Benzene,4-dibromo-1,3,5-trimethyl-

22. Cs-w010068

23. 2,4-dibromo-1,3,5-trimethylbenzene #

24. Ps-11768

25. Db-055276

26. D5262

27. Ft-0609989

28. A853686

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 277.98 g/mol
Molecular Formula C9H10Br2
XLogP34.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass277.91288 g/mol
Monoisotopic Mass275.91493 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity122
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1