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CAS 6320-40-7

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CHEMISTRY

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Chemistry

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Also known as: 6320-40-7, 1,3,5-tribromo-2-methylbenzene, Benzene, 1,3,5-tribromo-2-methyl-, 2,4,6,tribromotoluene, Mfcd00013527, Nsc31887

Molecular Formula

C₇H₅Br₃

Molecular Weight

328.83 g/mol

InChI Key

BFRIZWKDNUHPHL-UHFFFAOYSA-N

CAS 6320-40-7

1 2D Structure

CAS 6320-40-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,3,5-tribromo-2-methylbenzene

2.1.2 InChI

InChI=1S/C7H5Br3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3

2.1.3 InChI Key

BFRIZWKDNUHPHL-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C=C(C=C1Br)Br)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 6320-40-7

2. 1,3,5-tribromo-2-methylbenzene

3. Benzene, 1,3,5-tribromo-2-methyl-

4. 2,4,6,tribromotoluene

5. Mfcd00013527

6. Nsc31887

7. Einecs 228-672-2

8. 2,4,6-tribromtoluol

9. 2,4,6-tribrom-toluol

10. Schembl642403

11. Dtxsid60212566

12. Bcp34575

13. Zinc1664051

14. Ck1104

15. Nsc 31887

16. Nsc-31887

17. Akos015889067

18. Am83280

19. Cs-w009419

20. Ds-6312

21. Ac-28590

22. Sy022897

23. Db-054428

24. Ft-0609845

25. Benzene, 1,3,5-tribromo-2-methyl-;1,3,5-tribromo-2-methylbenzene

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₅Br₃
Molecular Weight	328.83 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	327.79209 g/mol
Monoisotopic Mass	325.79414 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	103
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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