CAS 207557-35-5

Chemistry, 19 End Use API, 64 Related Intermediates

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19 Suppliers

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3 Intermediates

3 Intermediates

Also known as: 207557-35-5, (s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (2s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile, (s)-1-(2-chloroacetyl)-pyrrolidine-2-carbonitrile, (s)-1-(2-chloro-acetyl)-pyrrolidine-2-carbonitrile, 2-pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2s)-

Molecular Formula

C₇H₉ClN₂O

Molecular Weight

172.61 g/mol

InChI Key

YCWRPKBYQZOLCD-LURJTMIESA-N

1 2D Structure

CAS 207557-35-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

2.1.2 InChI

InChI=1S/C7H9ClN2O/c8-4-7(11)10-3-1-2-6(10)5-9/h6H,1-4H2/t6-/m0/s1

2.1.3 InChI Key

YCWRPKBYQZOLCD-LURJTMIESA-N

2.1.4 Canonical SMILES

C1CC(N(C1)C(=O)CCl)C#N

2.1.5 Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCl)C#N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 207557-35-5

2. (s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

3. (2s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

4. (s)-1-(2-chloroacetyl)-pyrrolidine-2-carbonitrile

5. (s)-1-(2-chloro-acetyl)-pyrrolidine-2-carbonitrile

6. 2-pyrrolidinecarbonitrile, 1-(2-chloroacetyl)-, (2s)-

7. 2-pyrrolidinecarbonitrile, 1-(chloroacetyl)-, (2s)-

8. (2s)-1-(chloroacetyl)pyrrolidine-2-carbonitrile

9. (2s)-1-(2-chloroacetyl)-2-9-pyrrolidinecarbonitrile

10. Mfcd08689902

11. Schembl605418

12. Dtxsid00454201

13. Act04998

14. Cs-d1786

15. Zinc16697477

16. Akos006291018

17. Akos016015838

18. Ac-8547

19. (2s)-n-chloroacetyl-2-cyanopyrrolidine

20. Ds-13426

21. Db-009115

22. Am20090696

23. 1-(chloroacetyl)pyrrolidine-2alpha-carbonitrile

24. (s)-1-(chloroacetyl)-2-pyrrolidinecarbonitrile

25. 1-(2-chloroacetyl)pyrrolidine-2-(s)-carbonitrile

26. 557c355

27. A814859

28. (s)-1-(2'-chloroacetyl)pyrrolidine-2-carbonitrile

29. (s)-1-(2-chloro-acetyl)pyrrolidine-2-carbonitrile

30. Q-200012

31. 1-(2-chloroacetyl)pyrrolidine-2-carbonitrile;(s)-1-(2-chloroacetyl)pyrrolidine-2-carbonitrile

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₇H₉ClN₂O
Molecular Weight	172.61 g/mol
XLogP3	0.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	172.0403406 g/mol
Monoisotopic Mass	172.0403406 g/mol
Topological Polar Surface Area	44.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	208
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1