CAS 6942-99-0

1 2D Structure

CAS 6942-99-0

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 Formula	C₉H₁₀Br₂
Molecular Weight	277.98 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	277.91288 g/mol
Monoisotopic Mass	275.91493 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	122
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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