2019-34-3

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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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Also known as: 2019-34-3, 3-(4-chlorophenyl)propionic acid, Benzenepropanoic acid, 4-chloro-, 4-chlorophenylpropionic acid, 4-chlorobenzenepropanoic acid, Mfcd00016555

Molecular Formula

C₉H₉ClO₂

Molecular Weight

184.62 g/mol

InChI Key

BBSLOKZINKEUCR-UHFFFAOYSA-N

FDA UNII

EU6X3MW040

1 2D Structure

2019-34-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(4-chlorophenyl)propanoic acid

2.1.2 InChI

InChI=1S/C9H9ClO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12)

2.1.3 InChI Key

BBSLOKZINKEUCR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CCC(=O)O)Cl

2.2 Other Identifiers

2.2.1 UNII

EU6X3MW040

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2019-34-3

2. 3-(4-chlorophenyl)propionic Acid

3. Benzenepropanoic Acid, 4-chloro-

4. 4-chlorophenylpropionic Acid

5. 4-chlorobenzenepropanoic Acid

6. Mfcd00016555

7. P-chlorohydrocinnamic Acid

8. C9h9clo2

9. 3-(4-chlorophenyl)-propionic Acid

10. Eu6x3mw040

11. Chembl3819037

12. 3-(4-chloro-phenyl)-propionic Acid

13. P-chlorhydrozimtsaure

14. Unii-eu6x3mw040

15. Schembl349314

16. P-chloro Benzenepropanoic Acid

17. 3-(4-chlorophenyl)propanoicacid

18. 3-(p-chlorophenyl)propionic Acid

19. Amy3667

20. Dtxsid90174022

21. 3-(4-chlorophenyl)propanoic Acid #

22. Bdbm50180854

23. Stk397363

24. 4-chloro-benzenepropanoic Acid

25. Akos000112333

26. Ab01196

27. Cs-w007646

28. 3-(4-chlorophenyl)propionic Acid, 97%

29. 3-(p-chlorophenyl)propanoic Acid

30. Pitolisant Metabolite Bp1.3473

31. As-12445

32. Bp1.3473

33. Pd174451

34. Sy003370

35. Beta-(p-chlorophenyl)propionic Acid

36. C2177

37. Ft-0633981

38. .beta.-(p-chlorophenyl)propionic Acid

39. En300-24304

40. A814319

41. Ae-641/00345037

42. J-510685

43. Q27465198

44. Z178961272

45. Isopentyl (isopentyloxycarbonyldisulfanyl)formate;3-(4-chlorophenyl)-propionic Acid

46. S0w

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₉ClO₂
Molecular Weight	184.62 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	37.3
Heavy Atom Count	12
Formal Charge	0
Complexity	151
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