CAS 94569-84-3

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-5-fluorobenzaldehyde

2.1.2 InChI

InChI=1S/C7H4BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H

2.1.3 InChI Key

CJUCIKJLMFVWIS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1F)C=O)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 94569-84-3

2. Benzaldehyde, 2-bromo-5-fluoro-

3. Mfcd00142872

4. 2-bromo-5-fluoro-benzaldehyde

5. Schembl42391

6. Dtxsid40378371

7. Act11817

8. Bcp14475

9. Zinc2512342

10. 2-bromo-5-fluorobenzaldehyde, 96%

11. Akos005259261

12. Ab03821

13. Ac-2292

14. Cs-w001148

15. Ps-8172

16. L-2-(bromomethyl)pyrrolidinehydrobromide

17. Sy002530

18. Db-006013

19. Am20050102

20. B2353

21. Ft-0601435

22. J-508367

23. F1905-7205

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₄BrFO
Molecular Weight	203.01 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	201.94296 g/mol
Monoisotopic Mass	201.94296 g/mol
Topological Polar Surface Area	17.1 Å²
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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