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Also known as: 33626-98-1, Methyl 6-bromonaphthalene-2-carboxylate, 6-bromo-2-naphthalenecarboxylic acid methyl ester, 2-naphthalenecarboxylic acid, 6-bromo-, methyl ester, Mfcd00100408, 6-bromo-2-naphthoic acid methyl ester
Molecular Formula
C12H9BrO2
Molecular Weight
265.10  g/mol
InChI Key
JEUBRLPXJZOGPX-UHFFFAOYSA-N
FDA UNII
47YX2K4GR3

CAS 33626-98-1
1 2D Structure

CAS 33626-98-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 6-bromonaphthalene-2-carboxylate
2.1.2 InChI
InChI=1S/C12H9BrO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3
2.1.3 InChI Key
JEUBRLPXJZOGPX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br
2.2 Other Identifiers
2.2.1 UNII
47YX2K4GR3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 33626-98-1

2. Methyl 6-bromonaphthalene-2-carboxylate

3. 6-bromo-2-naphthalenecarboxylic Acid Methyl Ester

4. 2-naphthalenecarboxylic Acid, 6-bromo-, Methyl Ester

5. Mfcd00100408

6. 6-bromo-2-naphthoic Acid Methyl Ester

7. 47yx2k4gr3

8. 2-bromo-6-methoxycarbonylnaphthalene

9. Methyl 6-(3-benzyl-4-((2-methoxyethoxy)methoxy)phenyl)-2-naphthoate

10. Methyl 6-bromo-2-napthoate

11. Methyl-6-bromo-2-naphtoate

12. Unii-47yx2k4gr3

13. 6-bromonaphthalene-2-carboxylic Acid Methyl Ester

14. Adapalene Related Compound A

15. Schembl181238

16. Dtxsid50357551

17. Zinc404006

18. Bcp27227

19. Adapalene Related Compound A [usp]

20. Ab7472

21. Methyl 6-bromo-2-naphthoate, 98%

22. Stk687830

23. Akos005600350

24. Ac-7766

25. Cs-w007811

26. Methyl 6-bromo-2-naphthalenecarboxylate

27. Methyl 6-bromo-2-naphthalene Carboxylate

28. As-14806

29. Sy007269

30. Db-048463

31. A5977

32. Ft-0628686

33. Adapalene Related Compound A [usp-rs]

34. 6-bromo-naphthalene-2-carboxylic Acid Methyl Ester

35. 626m981

36. Adapalene Related Compound A [usp Impurity]

37. Q-201379

38. 6-bromo-naphthalene-2-carboxylic Acid Methyl Ester;methyl 6-bromo-2-naphthoate

39. Adapalene Related Compound A, United States Pharmacopeia (usp) Reference Standard

2.4 Create Date
2005-07-09
3 Chemical and Physical Properties
Molecular Weight 265.10 g/mol
Molecular Formula C12H9BrO2
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass263.97859 g/mol
Monoisotopic Mass263.97859 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count15
Formal Charge0
Complexity242
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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