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Chemistry

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Also known as: 101831-36-1, R-62690, R62,690, O8w0r05772, (2-chloro-4-(4,5-dihydro-3,5-dioxo-as-triazin-2(3h)-yl)phenyl)(p-chlorophenyl)acetonitrile, 2-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-chlorophenyl)acetonitrile
Molecular Formula
C17H10Cl2N4O2
Molecular Weight
373.2  g/mol
InChI Key
QUUTUGLQZLNABV-UHFFFAOYSA-N
FDA UNII
O8W0R05772

Clazuril
1 2D Structure

Clazuril

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-chlorophenyl)acetonitrile
2.1.2 InChI
InChI=1S/C17H10Cl2N4O2/c18-11-3-1-10(2-4-11)14(8-20)13-6-5-12(7-15(13)19)23-17(25)22-16(24)9-21-23/h1-7,9,14H,(H,22,24,25)
2.1.3 InChI Key
QUUTUGLQZLNABV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl)Cl
2.2 Other Identifiers
2.2.1 UNII
O8W0R05772
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Appertex

2. R 62690

3. R-62690

2.3.2 Depositor-Supplied Synonyms

1. 101831-36-1

2. R-62690

3. R62,690

4. O8w0r05772

5. (2-chloro-4-(4,5-dihydro-3,5-dioxo-as-triazin-2(3h)-yl)phenyl)(p-chlorophenyl)acetonitrile

6. 2-[2-chloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-(4-chlorophenyl)acetonitrile

7. Clazurilum

8. Clazurilo

9. 2-(2-chloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)phenyl)-2-(4-chlorophenyl)acetonitrile

10. Clazurilum [latin]

11. Clazurilo [spanish]

12. Clazuril [usan:inn:ban]

13. Unii-o8w0r05772

14. R 62690

15. Clazuril [usan]

16. Clazuril (usan/inn)

17. Clazuril [inn]

18. Clazuril [mi]

19. Clazuril [mart.]

20. (+/-)-clazuril

21. Schembl466311

22. Clazuril For System Suitability

23. Chembl2104190

24. Clazuril, (+/-)-

25. Dtxsid30869364

26. [2-chloro-4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)phenyl](4-chlorophenyl)acetonitrile

27. Hy-101000

28. Cs-0018222

29. D03533

30. Q3680360

31. 2-chloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)benzeneacetonitrile

32. 2-chloro-alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2-(3h)-yl)benzeneacetonitrile

33. Benzeneacetonitrile, 2-chloro-.alpha.-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3h)-yl)-

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 373.2 g/mol
Molecular Formula C17H10Cl2N4O2
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass372.0180810 g/mol
Monoisotopic Mass372.0180810 g/mol
Topological Polar Surface Area85.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity609
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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01-Feb-2021
15-Oct-2024
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