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Also known as: 84689-20-3, 2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile, 94213-24-8, Wz570674rf, (1e)-2,3-dichloro-n-(diaminomethylideneamino)benzenecarboximidoyl cyanide, (2,3-dichlorophenyl)(guanidinylimino)acetonitrile, (e)-
Molecular Formula
C9H7Cl2N5
Molecular Weight
256.09  g/mol
InChI Key
BXDSJOGMJUKSAE-CHHVJCJISA-N
FDA UNII
WZ570674RF

CAS 84689-20-3
1 2D Structure

CAS 84689-20-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1E)-2,3-dichloro-N-(diaminomethylideneamino)benzenecarboximidoyl cyanide
2.1.2 InChI
InChI=1S/C9H7Cl2N5/c10-6-3-1-2-5(8(6)11)7(4-12)15-16-9(13)14/h1-3H,(H4,13,14,16)/b15-7-
2.1.3 InChI Key
BXDSJOGMJUKSAE-CHHVJCJISA-N
2.1.4 Canonical SMILES
C1=CC(=C(C(=C1)Cl)Cl)C(=NN=C(N)N)C#N
2.1.5 Isomeric SMILES
C1=CC(=C(C(=C1)Cl)Cl)/C(=N\N=C(N)N)/C#N
2.2 Other Identifiers
2.2.1 UNII
WZ570674RF
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (e)-2-(2,3-dichlorophenyl)-2-(guanidinylimino)acetonitrile

2. 13w80

2.3.2 Depositor-Supplied Synonyms

1. 84689-20-3

2. 2-(2,3-dichlorophenyl)-2-guanidinyliminoacetonitrile

3. 94213-24-8

4. Wz570674rf

5. (1e)-2,3-dichloro-n-(diaminomethylideneamino)benzenecarboximidoyl Cyanide

6. (2,3-dichlorophenyl)(guanidinylimino)acetonitrile, (e)-

7. 2-[cyano(2,3-dichlorophenyl)methylene]-hydrazine Carboximidamide

8. 13w80

9. (e)-3-(cyano(2,3-dichlorophenyl)methylene)carbazamidine

10. N'-carbamimidoyl-2,3-dichlorobenzohydrazonoyl Cyanide

11. Einecs 303-726-9

12. Unii-501dur70u5

13. Unii-wz570674rf

14. (2,3-dichlorophenyl)(guanidinylimino)acetonitrile

15. 2-[cyano(2,3-dichlorophenyl)methylene]hydrazine Carboximidamide

16. 501dur70u5

17. Dtxsid301162145

18. 94213-23-7

19. Amy40804

20. Zinc21986332

21. Lamotrigine Impurity B [ep Impurity]

22. 689d203

23. (z)-(2,3-dichlorophenyl)(guanidinylimino)acetonitrile

24. 1-(alpha-cyano-2,3-dichlorobenzylideneamino)guanidine

25. Q27231289

26. 2-(2,3-dichlorphenyl)-2-(guanidinylimino)acetonitrile

27. (z)-2-(2,3-dichlorophenyl)-2-(guanidinoimino)acetonitrile

28. (e)-2-(2,3-dichlorophenyl)-2-(guanidinylimino)acetonitrile

29. (2e)-2-[cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide

30. 2-[(e)-cyano(2,3-dichlorophenyl)methylene]hydrazinecarbimide Amide

31. 2-[(z)-cyano(2,3-dichlorophenyl)methylene]hydrazinecarbimide Amide

32. (2e)-(2-(diaminomethylidene)diazanylidene)(2,3-dichlorophenyl)acetonitrile

33. Hydrazinecarboximidamide, 2-(cyano(2,3-dichlorophenyl)methylene)-, (2e)-

2.4 Create Date
2006-05-02
3 Chemical and Physical Properties
Molecular Weight 256.09 g/mol
Molecular Formula C9H7Cl2N5
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass255.0078506 g/mol
Monoisotopic Mass255.0078506 g/mol
Topological Polar Surface Area101 Ų
Heavy Atom Count16
Formal Charge0
Complexity352
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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