CAS 2586-62-1

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Also known as: 2586-62-1, Naphthalene, 1-bromo-2-methyl-, 2-methyl-1-bromonaphthalene, Mfcd00003871, 1-bromo-2-methyl-naphthalene, .beta.-methyl-.alpha.-bromonaphthalene

Molecular Formula

C₁₁H₉Br

Molecular Weight

221.09 g/mol

InChI Key

CMIMBQIBIZZZHQ-UHFFFAOYSA-N

1 2D Structure

CAS 2586-62-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromo-2-methylnaphthalene

2.1.2 InChI

InChI=1S/C11H9Br/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-7H,1H3

2.1.3 InChI Key

CMIMBQIBIZZZHQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=C(C2=CC=CC=C2C=C1)Br

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 1-bmn Cpd

2.2.2 Depositor-Supplied Synonyms

1. 2586-62-1

2. Naphthalene, 1-bromo-2-methyl-

3. 2-methyl-1-bromonaphthalene

4. Mfcd00003871

5. 1-bromo-2-methyl-naphthalene

6. .beta.-methyl-.alpha.-bromonaphthalene

7. Nsc36286

8. Einecs 219-966-1

9. 1-bromo-2-methylnaphtalene

10. 1-bromo-2-methylnapthalene

11. 1-bromo-2-methyl Naphthalene

12. Schembl103139

13. Dtxsid50180508

14. Amy31913

15. Zinc1668682

16. Nsc 36286

17. Nsc-36286

18. Akos007930022

19. Ac-27865

20. As-10530

21. Sy012657

22. Db-046783

23. Cs-0128760

24. Ft-0607462

25. F20354

26. A818055

27. 1-bromo-2-methylnaphthalene, Technical Grade, 90%

28. J-514568

29. J-640280

30. J-800279

31. Z1626920967

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₉Br
Molecular Weight	221.09 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	219.98876 g/mol
Monoisotopic Mass	219.98876 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	155
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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