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Also known as: 5922-60-1, 5-chloroanthranilonitrile, Benzonitrile, 2-amino-5-chloro-, Anthranilonitrile, 5-chloro-, 2-amino-5-chloro-benzonitrile, 4-chloro-2-cyanoaniline
Molecular Formula
C7H5ClN2
Molecular Weight
152.58  g/mol
InChI Key
QYRDWARBHMCOAG-UHFFFAOYSA-N
FDA UNII
GY0X0082QB

CAS 5922-60-1
1 2D Structure

CAS 5922-60-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-amino-5-chlorobenzonitrile
2.1.2 InChI
InChI=1S/C7H5ClN2/c8-6-1-2-7(10)5(3-6)4-9/h1-3H,10H2
2.1.3 InChI Key
QYRDWARBHMCOAG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=C(C=C1Cl)C#N)N
2.2 Other Identifiers
2.2.1 UNII
GY0X0082QB
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 5922-60-1

2. 5-chloroanthranilonitrile

3. Benzonitrile, 2-amino-5-chloro-

4. Anthranilonitrile, 5-chloro-

5. 2-amino-5-chloro-benzonitrile

6. 4-chloro-2-cyanoaniline

7. 2-amino-5-chlorobenzenecarbonitrile

8. 2-cyano-4-chloroaniline

9. Einecs 227-651-5

10. Mfcd00017106

11. Unii-gy0x0082qb

12. 6-amino-3-chlorobenzonitrile

13. Gy0x0082qb

14. Amino(2-) 5-chloro-benzonitrile

15. 5-chloro-2-aminobenzonitrile

16. Schembl164458

17. 2-amino-5-chloro Benzonitrile

18. Dtxsid4022234

19. 2-amino-5-chlorobenzonitrile, 98%

20. Bbl011042

21. Geo-00097

22. Stk802208

23. Akos005255386

24. Cs-w019490

25. Sb75818

26. 1-cyano-2-amino-5-chlorobenzene

27. Ac-15771

28. As-12022

29. Bp-20123

30. Sy021137

31. Ls-184951

32. Am20050119

33. Ft-0635905

34. En300-130841

35. S12320

36. A832215

37. Ap-685/40847984

38. W-105336

39. Q27279347

40. F0001-1555

41. Z991549028

2.4 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 152.58 g/mol
Molecular Formula C7H5ClN2
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area49.8
Heavy Atom Count10
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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