CAS 149437-76-3

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6 End Use APIs
28 Related Intermediates

Chemistry

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Also known as: 149437-76-3, 5-(4-fluorophenyl)-5-oxopentanoic acid, 5-(4-fluorophenyl)-5-oxovaleric acid, 4-fluorophenyl-5'-oxobutyric acid, Mfcd00667222, 5-(4'-fluorophenyl)-5-oxopentanoic acid

Molecular Formula

C₁₁H₁₁FO₃

Molecular Weight

210.20 g/mol

InChI Key

ZBQROUOOMAMCQW-UHFFFAOYSA-N

1 2D Structure

CAS 149437-76-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(4-fluorophenyl)-5-oxopentanoic acid

2.1.2 InChI

InChI=1S/C11H11FO3/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7H,1-3H2,(H,14,15)

2.1.3 InChI Key

ZBQROUOOMAMCQW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=O)CCCC(=O)O)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 149437-76-3

2. 5-(4-fluorophenyl)-5-oxopentanoic Acid

3. 5-(4-fluorophenyl)-5-oxovaleric Acid

4. 4-fluorophenyl-5'-oxobutyric Acid

5. Mfcd00667222

6. 5-(4'-fluorophenyl)-5-oxopentanoic Acid

7. 4-(4-fluorobenzoyl)-butyric Acid

8. 5-(4-fluoro-phenyl)-5-oxo-pentanoic Acid

9. 4-(4-fluorobenzoyl)butyricacid

10. 4-fluorobenzoylbutyric Acid

11. 4-fluorophenyl-5-oxopentanoic Acid

12. 4-(4'-fluorobenzoyl) Butyric Acid

13. 4-(4-fluorobenzoyl)-1-butanoic Acid

14. Oprea1_166432

15. 4-fluoro Benzoyl Butyric Acid

16. Schembl296337

17. Zinc58260

18. Dtxsid40351048

19. 4-(4'-fluorophenyl)butyric Acid

20. 4-(4-fluoro Benzoyl) Butyric Acid

21. 4-(4-fluoro-benzoyl)-butyric Acid

22. Act03568

23. Bcp18926

24. Akos005254813

25. 4-fluoro-delta-oxobenzenepentanoic Acid

26. Cs-w015119

27. Ps-8016

28. 5-(p-fluorophenyl)-5-oxo-pentanoic Acid

29. Ac-11387

30. Sy019248

31. Benzenepentanoic Acid, 4-fluoro-delta-oxo-

32. Am20061151

33. F0476

34. Ft-0604776

35. En300-37191

36. F11424

37. 437f763

38. A1-00090

39. Q-200520

40. Z381429060

41. 5-(4'-(bromomethyl)(1,1'-biphenyl)-2-yl)-1-trityl-1h-tetrazole

2.3 Create Date

2005-07-07

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁FO₃
Molecular Weight	210.20 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	210.06922237 g/mol
Monoisotopic Mass	210.06922237 g/mol
Topological Polar Surface Area	54.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	232
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