CAS 150322-73-9

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BUILDING BLOCK

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4 End Use APIs
14 Related Intermediates

Chemistry

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Also known as: 150322-73-9, 1-cyclopropyl-2-(2-fluorophenyl)ethanone, Cyclopropyl2-fluorobenzylketone, 1-cyclopropyl-2-(2-fluoro-phenyl)-ethanone, 1-cyclopropyl-2-(2-fluorophenyl)ethan-1-one, Ethanone, 1-cyclopropyl-2-(2-fluorophenyl)-

Molecular Formula

C₁₁H₁₁FO

Molecular Weight

178.20 g/mol

InChI Key

DWBGTJUQWKWYGB-UHFFFAOYSA-N

1 2D Structure

CAS 150322-73-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-cyclopropyl-2-(2-fluorophenyl)ethanone

2.1.2 InChI

InChI=1S/C11H11FO/c12-10-4-2-1-3-9(10)7-11(13)8-5-6-8/h1-4,8H,5-7H2

2.1.3 InChI Key

DWBGTJUQWKWYGB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1C(=O)CC2=CC=CC=C2F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 150322-73-9

2. 1-cyclopropyl-2-(2-fluorophenyl)ethanone

3. Cyclopropyl2-fluorobenzylketone

4. 1-cyclopropyl-2-(2-fluoro-phenyl)-ethanone

5. 1-cyclopropyl-2-(2-fluorophenyl)ethan-1-one

6. Ethanone, 1-cyclopropyl-2-(2-fluorophenyl)-

7. Mfcd10687164

8. 1-cyclopropyl-2-(2-fluorophenyl)-ethanone

9. Cyclopropyl-2-fluoro Benzyl Ketone

10. Prasugrl I

11. Schembl243780

12. O-fluorobenzyl Cyclopropyl Ketone

13. Dtxsid90571032

14. Act06895

15. Bcp00872

16. Zinc16697430

17. Akos005063958

18. Ac-5029

19. Ds-0463

20. Ps-6736

21. Sb33788

22. Sy019546

23. Db-029609

24. Am20030021

25. Cs-0037683

26. Ft-0649252

27. En300-80956

28. 1-cyclopropyl-2-(2-fluorophenyl)ethane-1-one

29. 322c739

30. A1-00017

31. Q-101053

2.3 Create Date

2007-02-09

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁FO
Molecular Weight	178.20 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	178.079393132 g/mol
Monoisotopic Mass	178.079393132 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	198
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