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CAS 220352-36-3 manufacturers and suppliers on PharmaCompass

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CAS 220352-36-3
Also known as: 220352-36-3, (1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylic acid, Trans-2-(3,4-difluoro-phenyl)-cyclopropanecarboxylic acid, 1006614-50-1, Trans-2-(3,4-difluorophenyl)cyclopropanecarboxylic acid, (1r,2r)-2-(3,4-difluorophenyl)-cyclopropanecarboxylic acid
Molecular Formula
C10H8F2O2
Molecular Weight
198.17  g/mol
InChI Key
CSLVZAGSOJLXCT-NKWVEPMBSA-N

1 2D Structure

CAS 220352-36-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylic acid
2.1.2 InChI
InChI=1S/C10H8F2O2/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7+/m0/s1
2.1.3 InChI Key
CSLVZAGSOJLXCT-NKWVEPMBSA-N
2.1.4 Canonical SMILES
C1C(C1C(=O)O)C2=CC(=C(C=C2)F)F
2.1.5 Isomeric SMILES
C1[C@H]([C@@H]1C(=O)O)C2=CC(=C(C=C2)F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 220352-36-3

2. (1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylic Acid

3. Trans-2-(3,4-difluoro-phenyl)-cyclopropanecarboxylic Acid

4. 1006614-50-1

5. Trans-2-(3,4-difluorophenyl)cyclopropanecarboxylic Acid

6. (1r,2r)-2-(3,4-difluorophenyl)-cyclopropanecarboxylic Acid

7. Mfcd22201080

8. Schembl248384

9. Amy3283

10. Dtxsid60431457

11. Cs-m1813

12. Cyclopropanecarboxylic Acid, 2-(3,4-difluorophenyl)-, (1r,2r)-

13. Ac9689

14. Akos016844814

15. Cs-14545

16. En300-1655713

17. Trans-2-(3,4-difluorophenyl)cyclopropanecarboxylicacid

18. Z2307311644

19. (1r,2r)-2-(3,4-difluorophenyl) Cyclopropane Carboxylic Acid

20. (1r,2r)-2-(3,4-difluorophenyl)-1-cyclopropanecarboxylic Acid

21. (1r,2r)-2-(3,4-difluorophenyl)cyclopropane Carboxylic Acid

22. Rac-(1r,2r)-2-(3,4-difluorophenyl)cyclopropane-1-carboxylic Acid

23. (1r,2s)-2-(3,4-difluorophenyl)cyclopropanaminium (2r)hydroxy(phenyl)ethanoate

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 198.17 g/mol
Molecular Formula C10H8F2O2
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area37.3
Heavy Atom Count14
Formal Charge0
Complexity244
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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