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CAS 154477-54-0
PharmaCompass
CAS 154477-54-0
Also known as: 154477-54-0, Methyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate, Methyl 4-(4-chloro-1-oxobutyl)-alfa,alfa-dimethylbenzene acetate, Ak116713, 4-(4-chloro-1-oxobutyl)-, A,
Molecular Formula
C15H19ClO3
Molecular Weight
282.764  g/mol
InChI Key
ULWORPZJUIFPIC-UHFFFAOYSA-N

1 2D Structure

CAS 154477-54-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate
2.1.2 InChI
InChI=1S/C15H19ClO3/c1-15(2,14(18)19-3)12-8-6-11(7-9-12)13(17)5-4-10-16/h6-9H,4-5,10H2,1-3H3
2.1.3 InChI Key
ULWORPZJUIFPIC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C1=CC=C(C=C1)C(=O)CCCCl)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 154477-54-0

2. Methyl 2-(4-(4-chlorobutanoyl)phenyl)-2-methylpropanoate

3. Methyl 4-(4-chloro-1-oxobutyl)-alfa,alfa-dimethylbenzene Acetate

4. Ak116713

5. 4-(4-chloro-1-oxobutyl)-

6. A,

7. A-dimethylbenzeneacetic Acid Methyl Ester

8. Methyl 2-(4-[4-(4-benzhydryloxy-piperidin-1-yl)-butyryl]-phenyl)-2-methylpropionate

9. Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate

10. Schembl1502354

11. Ctk4c8268

12. Dtxsid20435032

13. Methyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methyl-propanoate

14. Molport-005-937-999

15. Mfcd09031254

16. Sbb064522

17. Zinc21991760

18. Akos015890024

19. Ac-8097

20. An-8328

21. Or70172

22. Acm154477540

23. Aj-79727

24. As-15325

25. O878

26. Or063817

27. Or225334

28. 2-[4-(4-chloro-1-oxobutyl)-

29. Ax8018565

30. Rt-009195

31. Am20030050

32. Ft-0655725

33. St24047620

34. M-1367

35. 477m540

36. I01-5030

37. Methyl 2-[4-(4-chlorobutyryl)phenyl]-2-methylpropanoate

38. Methyl 4-(4-chloro-1-oxobutyl)-

39. A,

40. A-dimethylphenylacetate

41. Methyl-2-[4-(4-chloro-butyryl-)phenyl]-2-methyl-propanoate

42. 2-[4-(4-chlorobutyryl)phenyl]-2-methylpropionic Acid Methyl Ester

43. 2-4-(4-chloro-butyryl)-phenyl-2-methyl-propionic Acid Methyl Ester

44. Methyl 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethylphenylacetate

45. 2-[4-(4-chloro-butyryl)-phenyl]-2-methyl-propionic Acid, Methyl Ester

46. 2-[4-(4-chlorobutyryl)-phenyl]-2-methyl-propionic Acid Methyl Ester

47. Benzeneacetic Acid,4-(4-chloro-1-oxobutyl)-a,a-dimethyl-, Methyl Ester

48. Benzeneacetic Acid 4-(4-chloro-1-oxobutyl)-l L-dimethyl- Methyl Ester

49. Benzeneacetic Acid, 4-(4-chloro-1-oxobutyl)-alpha,alpha-dimethyl-, Methyl Ester

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 282.764 g/mol
Molecular Formula C15H19ClO3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass282.102 g/mol
Monoisotopic Mass282.102 g/mol
Topological Polar Surface Area43.4 A^2
Heavy Atom Count19
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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