1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(bromomethyl)-2,4,5-trifluorobenzene

2.1.2 InChI

InChI=1S/C7H4BrF3/c8-3-4-1-6(10)7(11)2-5(4)9/h1-2H,3H2

2.1.3 InChI Key

GAUXEYCSWSMMFZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=CC(=C1F)F)F)CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 157911-56-3

2. 1-(bromomethyl)-2,4,5-trifluorobenzene

3. 2,4,5-trifluorobenzylbromide

4. 2,4,5-trifluoro Benzyl Bromide

5. Benzene, 1-(bromomethyl)-2,4,5-trifluoro-

6. 2, 4, 5-trifluorobenzyl Bromide

7. 2,4,5-trifluorbenzylbromide

8. Schembl344590

9. 2,4,5 Trifluorobenzyl Bromide

10. 2,4,5-trifluoro-benzylbromide

11. Dtxsid60380355

12. Act13254

13. Zinc8100949

14. Mfcd00061209

15. Akos005063907

16. Ac-9756

17. Am62168

18. Sb33946

19. 1-bromomethyl-2,4,5-trifluoro-benzene

20. As-15859

21. 2,4,5-trifluorobenzyl Bromide, Aldrichcpr

22. Db-023757

23. A3474

24. Ft-0609809

25. T2386

26. A24154

27. En300-1913171

28. 911t563

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₄BrF₃
Molecular Weight	225.01 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	0
Heavy Atom Count	11
Formal Charge	0
Complexity	131
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

CAS 157911-56-3

CAS 157911-56-3

CHEMISTRY

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