CAS 25026-34-0

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Also known as: 25026-34-0, 2-(4-chlorophenyl)acetyl chloride, P-chlorophenylacetyl chloride, 4-chlorobenzeneacetyl chloride, Benzeneacetyl chloride, 4-chloro-, 4-chlorobenzeneacetylchloride

Molecular Formula

C₈H₆Cl₂O

Molecular Weight

189.04 g/mol

InChI Key

UMQUIRYNOVNYPA-UHFFFAOYSA-N

1 2D Structure

CAS 25026-34-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-chlorophenyl)acetyl chloride

2.1.2 InChI

InChI=1S/C8H6Cl2O/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2

2.1.3 InChI Key

UMQUIRYNOVNYPA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1CC(=O)Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 25026-34-0

2. 2-(4-chlorophenyl)acetyl Chloride

3. P-chlorophenylacetyl Chloride

4. 4-chlorobenzeneacetyl Chloride

5. Benzeneacetyl Chloride, 4-chloro-

6. 4-chlorobenzeneacetylchloride

7. (4-chlorophenyl)acetyl Chloride

8. 4-chlorophenylacetic Acid Chloride

9. Einecs 246-571-1

10. Mfcd00037111

11. 4-chlorophenylacetylchloride

12. 4-chlorobenzenacetyl Chloride

13. Schembl76050

14. P-chlorophenyl-acetyl Chloride

15. (4-chlorophenyl)acetylchloride

16. 4-chloro-phenylacetyl Chloride

17. 4-chlorophenyl Acetyl Chloride

18. 4-chlorophenyl-acetyl Chloride

19. 4-chloro Phenyl Acetyl Chloride

20. (4-chlorophenyl)-acetyl Chloride

21. 2-(4-chlorophenyl)acetylchloride

22. Dtxsid10179736

23. (4-chloro-phenyl)-acetyl Chloride

24. 4-chlorobenzeneacetic Acid Chloride

25. Act03055

26. Zinc2168258

27. 4-chlorophenylacetyl Chloride, 97%

28. Akos001322484

29. Amy202100060

30. As-54507

31. Db-046606

32. Ft-0618249

33. S10930

34. 026c340

35. W-107269

36. F2190-0111

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₈H₆Cl₂O
Molecular Weight	189.04 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	187.9795702 g/mol
Monoisotopic Mass	187.9795702 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	139
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

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