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CAS 29124-57-0

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CHEMISTRY

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Chemistry

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Also known as: 29124-57-0, 2-amino-5-bromobenzenecarbaldehyde, Benzaldehyde, 2-amino-5-bromo-, 2-amino-5-bromo-benzaldehyde, Mfcd10696879, 5-bromoanthranilaldehyde

Molecular Formula

C₇H₆BrNO

Molecular Weight

200.03 g/mol

InChI Key

VBYZWJMZASVGNB-UHFFFAOYSA-N

CAS 29124-57-0

1 2D Structure

CAS 29124-57-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-amino-5-bromobenzaldehyde

2.1.2 InChI

InChI=1S/C7H6BrNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2

2.1.3 InChI Key

VBYZWJMZASVGNB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1Br)C=O)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 29124-57-0

2. 2-amino-5-bromobenzenecarbaldehyde

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

4. 2-amino-5-bromo-benzaldehyde

5. Mfcd10696879

6. 5-bromoanthranilaldehyde

7. 2-amino-5-bromobenzaldehyde, Aldrichcpr

8. 2-amino-5-bromobenzaidehyde

9. Benzaldehyde,2-amino-5-bromo

10. Schembl791039

11. Dtxsid00634642

12. 2-amino-5-bromobenzaldehyde, 97%

13. Akos005072336

14. Ab58429

15. Cs-w008175

16. Ed-0721

17. Ac-28694

18. Sy028920

19. Db-068069

20. Am20061022

21. Ft-0647509

22. A18584

23. En300-2967216

24. J-507910

25. Z1269131915

2.3 Create Date

2007-12-06

3 Chemical and Physical Properties

Molecular Formula	C₇H₆BrNO
Molecular Weight	200.03 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	43.1
Heavy Atom Count	10
Formal Charge	0
Complexity	129
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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