CAS 50910-55-9

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Also known as: 50910-55-9, 2-amino-3,5-dibromo-benzaldehyde, 3,5-dibromo-2-aminobenzaldehyde, 3,5-dibromoanthranilaldehyde, Benzaldehyde, 2-amino-3,5-dibromo-, Mfcd00671100

Molecular Formula

C₇H₅Br₂NO

Molecular Weight

278.93 g/mol

InChI Key

RCPAZWISSAVDEA-UHFFFAOYSA-N

1 2D Structure

CAS 50910-55-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-3,5-dibromobenzaldehyde

2.1.2 InChI

InChI=1S/C7H5Br2NO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H,10H2

2.1.3 InChI Key

RCPAZWISSAVDEA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C=C(C(=C1C=O)N)Br)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 50910-55-9

2. 2-amino-3,5-dibromo-benzaldehyde

3. 3,5-dibromo-2-aminobenzaldehyde

4. 3,5-dibromoanthranilaldehyde

5. Benzaldehyde, 2-amino-3,5-dibromo-

6. Mfcd00671100

7. Bromhexine Impurity B

8. Einecs 256-841-0

9. Bromhexine Ep Impurity B

10. Ec 256-841-0

11. Schembl285148

12. Zinc57067

13. Dtxsid70198943

14. Amy16465

15. Bcp06911

16. Stl450950

17. Akos015854696

18. 2-amino-3,5-dibromobenzaldehyde, 97%

19. Ac-10733

20. Ac-31356

21. As-12042

22. Bp-12420

23. Sy038949

24. Db-020382

25. Cs-0030731

26. D2625

27. Ft-0611038

28. F12175

29. A828361

30. W-105925

31. Ambroxol Ep Impurity E; 2-amino-3,5-dibromobenzaldehyde

2.3 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₇H₅Br₂NO
Molecular Weight	278.93 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	278.87174 g/mol
Monoisotopic Mass	276.87379 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	153
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