Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 36854-57-6, 2-phenylbutanoyl chloride, 2-phenylbutyrylchloride, 2-ethyl-2-phenylacetyl chloride, Butyryl chloride, 2-phenyl-, Einecs 253-241-0
Molecular Formula
C10H11ClO
Molecular Weight
182.64  g/mol
InChI Key
QGXMHCMPIAYMGT-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-phenylbutanoyl chloride
2.1.2 InChI
InChI=1S/C10H11ClO/c1-2-9(10(11)12)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
2.1.3 InChI Key
QGXMHCMPIAYMGT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(C1=CC=CC=C1)C(=O)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 36854-57-6

2. 2-phenylbutanoyl Chloride

3. 2-phenylbutyrylchloride

4. 2-ethyl-2-phenylacetyl Chloride

5. Butyryl Chloride, 2-phenyl-

6. Einecs 253-241-0

7. 2-phenyl Butyryl Chloride

8. 2-phenyl-butyryl Chloride

9. Schembl582647

10. .alpha.-phenylbutyryl Chloride

11. Alpha-ethyl-benzeneacetyl Chloride

12. Ec 253-241-0

13. Ac1l3zwu

14. Ac1q2rvm

15. 2-phenyl-mutanoyl Chloride

16. Ac1q3g3w

17. Sbb067924

18. 2-phenyl-2-ethylacetyl Chloride

19. 2-phenylbutyryl Chloride, 98%

20. Alpha-ethylbenzeneacetyl Chloride

21. Qgxmhcmpiaymgt-uhfffaoysa-

22. Dtxsid201308142

23. Nsc86133

24. Ccg-40544

25. Geo-03394

26. Mfcd00018811

27. Nsc 86133

28. Nsc-86133

29. Akos009157874

30. Benzeneacetyl Chloride, .alpha.-ethyl-

31. Alpha-phenyl-alpha-ethyl Acetyl Chloride

32. As-46729

33. Db-049020

34. Ft-0613330

35. P1665

36. F10305

37. A823406

38. F2190-0116

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 182.64 g/mol
Molecular Formula C10H11ClO
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass182.0498427 g/mol
Monoisotopic Mass182.0498427 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity150
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1