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CHEMISTRY

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Chemistry

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Also known as: 1,2,4-tribromo-5-methylbenzene, 3278-88-4, Benzene, 1,2,4-tribromo-5-methyl-, 2,4,5-tribrom-toluol, Schembl11045804, Dtxsid30186447

Molecular Formula

C₇H₅Br₃

Molecular Weight

328.83 g/mol

InChI Key

KZZJNNUPNNBCCH-UHFFFAOYSA-N

CAS 3278-88-4

1 2D Structure

CAS 3278-88-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1,2,4-tribromo-5-methylbenzene

2.1.2 InChI

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

2.1.3 InChI Key

KZZJNNUPNNBCCH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1,2,4-tribromo-5-methylbenzene

2. 3278-88-4

3. Benzene, 1,2,4-tribromo-5-methyl-

4. 2,4,5-tribrom-toluol

5. Schembl11045804

6. Dtxsid30186447

7. Zinc167106

8. Amy31924

9. 2,4,5-tribromotoluene, Aldrichcpr

10. Bbl100458

11. Ck1101

12. Mfcd00052984

13. Stl554252

14. Akos005254423

15. Ds-17909

16. Db-019803

17. Cs-0153311

18. Ft-0606248

19. A821415

2.3 Create Date

2005-07-19

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	115
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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