Pmc Isochem

CAS 203314-28-7

Chemistry, 1 End Use API, 7 Related Intermediates

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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

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CAS Number

74761-42-5

End Use API

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.