CAS 203314-28-7

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Chemistry

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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

CAS 203314-28-7

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 Formula	C₈H₆Br₂O₂
Molecular Weight	293.94 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	37.3
Heavy Atom Count	12
Formal Charge	0
Complexity	172
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