CAS 13073-25-1

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CHEMISTRY

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1 Suppliers, 1 End Use APIs, 20 Related Intermediates

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1 End Use APIs
20 Related Intermediates

Chemistry

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Also known as: 13073-25-1, Phenol, 2-bromo-6-nitro-, 2-bromo-6-nitro-phenol, Mfcd02683216, 6-nitro-2-bromophenol, 2-brom-6-nitrophenol

Molecular Formula

C₆H₄BrNO₃

Molecular Weight

218.00 g/mol

InChI Key

VEJSIOPQKQXJAT-UHFFFAOYSA-N

1 2D Structure

CAS 13073-25-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-6-nitrophenol

2.1.2 InChI

InChI=1S/C6H4BrNO3/c7-4-2-1-3-5(6(4)9)8(10)11/h1-3,9H

2.1.3 InChI Key

VEJSIOPQKQXJAT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C(=C1)Br)O)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 13073-25-1

2. Phenol, 2-bromo-6-nitro-

3. 2-bromo-6-nitro-phenol

4. Mfcd02683216

5. 6-nitro-2-bromophenol

6. 2-brom-6-nitrophenol

7. 2-nitro-6-bromophenol

8. 2-nitro-6-bromo-phenol

9. Schembl846242

10. 2-bromo-6-nitrophenol, 97%

11. Dtxsid40926876

12. Vejsiopqkqxjat-uhfffaoysa-n

13. Bcp13329

14. Bbl103851

15. Geo-00526

16. Stl557661

17. Akos008901368

18. Akos040756631

19. Ac-3171

20. Cs-w021626

21. Hy-w040886

22. Ps-6258

23. Pd158375

24. Sy004223

25. Am20060355

26. B2203

27. Ft-0600610

28. En300-111276

29. Ae-641/03312018

30. Q-101065

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₆H₄BrNO₃
Molecular Weight	218.00 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	66
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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