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Also known as: 351-54-2, 3-fluoro-p-anisaldehyde, 3-fluoro-4-anisaldehyde, Benzaldehyde, 3-fluoro-4-methoxy-, 3-fluoro-4-methoxy-benzaldehyde, Mfcd00003349
Molecular Formula
C8H7FO2
Molecular Weight
154.14  g/mol
InChI Key
SOQCZBSZZLWDGU-UHFFFAOYSA-N
FDA UNII
K2CG7GUS9W

CAS 351-54-2
1 2D Structure

CAS 351-54-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-fluoro-4-methoxybenzaldehyde
2.1.2 InChI
InChI=1S/C8H7FO2/c1-11-8-3-2-6(5-10)4-7(8)9/h2-5H,1H3
2.1.3 InChI Key
SOQCZBSZZLWDGU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)C=O)F
2.2 Other Identifiers
2.2.1 UNII
K2CG7GUS9W
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 351-54-2

2. 3-fluoro-p-anisaldehyde

3. 3-fluoro-4-anisaldehyde

4. Benzaldehyde, 3-fluoro-4-methoxy-

5. 3-fluoro-4-methoxy-benzaldehyde

6. Mfcd00003349

7. K2cg7gus9w

8. 3-fluoro-4-methoxy Benzaldehyde

9. Einecs 206-514-3

10. 3-fluoroanisaldehyde

11. 3-fluoro-anisaldehyde

12. Unii-k2cg7gus9w

13. 3-fluoro-para-anisaldehyde

14. P-anisaldehyde, 3-fluoro-

15. 3-fluoro4-methoxybenzaldehyde

16. Schembl435689

17. 4-methoxy-3-fluorobenzaldehyde

18. 3-fluoro-4-methoxybenz Aldehyde

19. 3--fluoro-4-methoxybenzaldehyde

20. Soqczbszzlwdgu-uhfffaoysa-

21. Dtxsid20188596

22. 3-fluoro-4-methoxybenzaldehyde #

23. Act11857

24. Zinc1847539

25. Ck2105

26. 3-fluoro-4-methoxybenzaldehyde, 99%

27. Akos000260496

28. Cs-w007614

29. Ps-8885

30. Upcmld0enat5395994:001

31. Ac-14095

32. Sy004508

33. Db-028490

34. A6176

35. Am20060040

36. F0480

37. Ft-0615688

38. 351f542

39. J-512491

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 154.14 g/mol
Molecular Formula C8H7FO2
XLogP31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass154.04300762 g/mol
Monoisotopic Mass154.04300762 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity138
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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