749927-69-3

1 2D Structure

749927-69-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-bromo-2-fluoro-N-methylbenzamide

2.1.2 InChI

InChI=1S/C8H7BrFNO/c1-11-8(12)6-3-2-5(9)4-7(6)10/h2-4H,1H3,(H,11,12)

2.1.3 InChI Key

BAJCFNRLEJHPTQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CNC(=O)C1=C(C=C(C=C1)Br)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 749927-69-3

2. N-methyl 4-bromo-2-fluorobenzamide

3. N-methyl-4-bromo-2-fluorobenzamide

4. 4-bromo-2-fluoro-n-methyl-benzamide

5. Mfcd09878362

6. Enzalutamide Impurity B

7. Schembl1648482

8. Dtxsid80640781

9. Amy16495

10. Bcp28346

11. Zinc19436095

12. Akos000174135

13. Pb47809

14. Ac-31338

15. As-18050

16. Sy037918

17. B5074

18. Cs-0008505

19. Ft-0696837

20. A856460

2.3 Create Date

2008-02-29

3 Chemical and Physical Properties

Molecular Formula	C₈H₇BrFNO
Molecular Weight	232.05 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	230.96950 g/mol
Monoisotopic Mass	230.96950 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	176
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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