CAS 351-54-2

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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

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 Formula	C₈H₇FO₂
Molecular Weight	154.14 g/mol
XLogP3	1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	154.04300762 g/mol
Monoisotopic Mass	154.04300762 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
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