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CAS 5773-80-8
Also known as: 5773-80-8, 6-bromonaphthalene-2-carboxylic acid, 2-naphthalenecarboxylic acid, 6-bromo-, 6-bromo-2-naphthalenecarboxylic acid, Mfcd01075720, 6-bromo-2-napthoic acid
Molecular Formula
C11H7BrO2
Molecular Weight
251.08  g/mol
InChI Key
NPMCAVBMOTZUPD-UHFFFAOYSA-N

1 2D Structure

CAS 5773-80-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-bromonaphthalene-2-carboxylic acid
2.1.2 InChI
InChI=1S/C11H7BrO2/c12-10-4-3-7-5-9(11(13)14)2-1-8(7)6-10/h1-6H,(H,13,14)
2.1.3 InChI Key
NPMCAVBMOTZUPD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC2=C(C=CC(=C2)Br)C=C1C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 5773-80-8

2. 6-bromonaphthalene-2-carboxylic Acid

3. 2-naphthalenecarboxylic Acid, 6-bromo-

4. 6-bromo-2-naphthalenecarboxylic Acid

5. Mfcd01075720

6. 6-bromo-2-napthoic Acid

7. 6-bromo-2-naphthalene Carboxylic Acid

8. Schembl203205

9. 6-bromo-2-naphthylacetic Acid

10. Amy8818

11. Dtxsid90404154

12. 6-bromo-2-naphthioc Acid

13. Zinc156438

14. 6-bromo-naphthalene-2-carboxylic Acid

15. Akos015892556

16. 6-bromo-2-naphthoic Acid, Aldrichcpr

17. Ac-1312

18. Cs-w009021

19. 6-bromanylnaphthalene-2-carboxylic Acid

20. As-10945

21. Sy008220

22. Db-029230

23. B3823

24. Ft-0620975

25. F13882

26. 773b808

27. A831576

28. A869600

29. Q-100664

30. Z1696844431

2.3 Create Date
2005-09-15
3 Chemical and Physical Properties
Molecular Weight 251.08 g/mol
Molecular Formula C11H7BrO2
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass249.96294 g/mol
Monoisotopic Mass249.96294 g/mol
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity229
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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