CAS 862574-88-7

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Also known as: 862574-88-7, 1-(2,2-difluorobenzo[1,3]dioxol-5-yl)-cyclopropanecarboxylic acid, 1-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarboxylic acid, 1-(2,2-difluoro-2h-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid, Mfcd13190001

Molecular Formula

C₁₁H₈F₂O₄

Molecular Weight

242.17 g/mol

InChI Key

IELWGOUPQRHXLS-UHFFFAOYSA-N

1 2D Structure

CAS 862574-88-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid

2.1.2 InChI

InChI=1S/C11H8F2O4/c12-11(13)16-7-2-1-6(5-8(7)17-11)10(3-4-10)9(14)15/h1-2,5H,3-4H2,(H,14,15)

2.1.3 InChI Key

IELWGOUPQRHXLS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC1(C2=CC3=C(C=C2)OC(O3)(F)F)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 862574-88-7

2. 1-(2,2-difluorobenzo[1,3]dioxol-5-yl)-cyclopropanecarboxylic Acid

3. 1-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarboxylic Acid

4. 1-(2,2-difluoro-2h-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic Acid

5. 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic Acid

6. Mfcd13190001

7. Cyclopropanecarboxylic Acid, 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-

8. 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropanecarboxylic Acid

9. 1-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarboxylicacid

10. 1-(2,2-difluorobenzo(d)(1,3)dioxol-5-yl)cyclopropanecarboxylic Acid

11. Cyclopropanecarboxylicacid,1-(2,2-difluoro-1,3-benzodioxol-5-yl)

12. 1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropane-1-carboxylic Acid

13. Ec 800-301-4

14. Schembl350751

15. Ambz0450

16. Dtxsid00657891

17. Bcp08244

18. Cs-m2012

19. Am9608

20. Geo-04309

21. Zinc64033449

22. Akos016008352

23. Pb30057

24. Ac-33551

25. Ds-12708

26. Sy040589

27. Ft-0777985

28. 2-(n-ethylperfluorooctanesulfamido)ethylacrylate

29. 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-cyclopropanecarboxylic Acid

30. 1-(2,2-difluorobenzo[1,3]dioxol-5-yl)-cyclopropanecarboxylicacid

31. 1-(2,2-difluorobenzo[1,3]dioxol-5-yl)cyclopropanecarboxylic Acid

32. 1-(2,2-difluoro-benzo[1,3]dioxol-5-yl)-cyclopropane-1-carboxylic Acid

2.3 Create Date

2009-09-28

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₈F₂O₄
Molecular Weight	242.17 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	242.03906506 g/mol
Monoisotopic Mass	242.03906506 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	353
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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