CAS 66742-57-2

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Also known as: 66742-57-2, 4-((3-fluorobenzyl)oxy)benzaldehyde, 4-(3-fluoro-benzyloxy)-benzaldehyde, 4-(3-fluorobenzyloxy)benzaldehyde, 4-[(3-fluorobenzyl)oxy]benzaldehyde, 4-(3-fluoro-benzyloxy)benzaldehyde

Molecular Formula

C₁₄H₁₁FO₂

Molecular Weight

230.23 g/mol

InChI Key

DNKSIIHRKWTIRH-UHFFFAOYSA-N

FDA UNII

F835Z6XML4

1 2D Structure

CAS 66742-57-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[(3-fluorophenyl)methoxy]benzaldehyde

2.1.2 InChI

InChI=1S/C14H11FO2/c15-13-3-1-2-12(8-13)10-17-14-6-4-11(9-16)5-7-14/h1-9H,10H2

2.1.3 InChI Key

DNKSIIHRKWTIRH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)C=O

2.2 Other Identifiers

2.2.1 UNII

F835Z6XML4

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 66742-57-2

2. 4-((3-fluorobenzyl)oxy)benzaldehyde

3. 4-(3-fluoro-benzyloxy)-benzaldehyde

4. 4-(3-fluorobenzyloxy)benzaldehyde

5. 4-[(3-fluorobenzyl)oxy]benzaldehyde

6. 4-(3-fluoro-benzyloxy)benzaldehyde

7. F835z6xml4

8. Benzaldehyde, 4-[(3-fluorophenyl)methoxy]-

9. Benzaldehyde, 4-((3-fluorophenyl)methoxy)-

10. 4-(3-fluorbenzyloxy)benzaldehyd

11. Ec 613-982-6

12. Cambridge Id 6493691

13. Unii-f835z6xml4

14. Schembl1347334

15. Chembl2088923

16. 4-(3-fluorobenzyloxy)benzaldeyde

17. Amy4078

18. Dtxsid40358193

19. Zinc450399

20. Albb-001321

21. Bcp17039

22. Cs-m0748

23. Bbl013994

24. Mfcd02605317

25. Stk198766

26. Akos000268837

27. Gs-5934

28. Sb17969

29. Ac-27046

30. Db-073795

31. A8983

32. Bb 0217661

33. F0943

34. Ft-0677658

35. En300-23889

36. P10230

37. 4-(3-fluoro-benzyloxy)-benzaldehyde, Aldrichcpr

38. 742f572

39. Sr-01000235841

40. Sr-01000235841-1

41. 4-(3-fluorobenzyloxy)benzaldehyde;4-((3-fluorobenzyl)oxy)benzaldehyde

2.4 Create Date

2005-07-09

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₁FO₂
Molecular Weight	230.23 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	230.07430775 g/mol
Monoisotopic Mass	230.07430775 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	236
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