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Technical details about CAS 203314-28-7, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 203314-28-7, 2,5-dibromophenylacetic acid, (2,5-dibromophenyl)acetic acid, Benzeneacetic acid, 2,5-dibromo-, Mfcd02664691, 2,5-dibromophenylaceticacid
Molecular Formula
C8H6Br2O2
Molecular Weight
293.94  g/mol
InChI Key
NKZKFWYEXDBOTP-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(2,5-dibromophenyl)acetic acid
2.1.2 InChI
InChI=1S/C8H6Br2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
2.1.3 InChI Key
NKZKFWYEXDBOTP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Br)CC(=O)O)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 203314-28-7

2. 2,5-dibromophenylacetic Acid

3. (2,5-dibromophenyl)acetic Acid

4. Benzeneacetic Acid, 2,5-dibromo-

5. Mfcd02664691

6. 2,5-dibromophenylaceticacid

7. Schembl1758414

8. Dtxsid30401364

9. (2,5-dibromo-phenyl)-acetic Acid

10. Act09028

11. Bcp11411

12. Cs-m3358

13. Zinc3750723

14. Cl8749

15. Akos002392990

16. Am62278

17. Sb13066

18. Ac-28949

19. As-18196

20. Sy047633

21. Bb 0248979

22. En300-120073

23. A856752

24. As-813/43501598

25. Z1269185355

2.3 Create Date
2005-09-13
3 Chemical and Physical Properties
Molecular Weight 293.94 g/mol
Molecular Formula C8H6Br2O2
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area37.3
Heavy Atom Count12
Formal Charge0
Complexity172
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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