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CAS 244768-32-9
Also known as: 244768-32-9, 4-[(4-chloro-2-pyrimidinyl)amino]benzonitrile, Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-, 4-[(4-chloropyrimidin-2-yl)amino]benzonitrile, 4-(4-chloropyrimidin-2-ylamino)benzonitrile, 4-n[2(4-chloropyrimidinyl)]amino benzonitrile
Molecular Formula
C11H7ClN4
Molecular Weight
230.65  g/mol
InChI Key
QXCHAADSAYQDHL-UHFFFAOYSA-N

1 2D Structure

CAS 244768-32-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[(4-chloropyrimidin-2-yl)amino]benzonitrile
2.1.2 InChI
InChI=1S/C11H7ClN4/c12-10-5-6-14-11(16-10)15-9-3-1-8(7-13)2-4-9/h1-6H,(H,14,15,16)
2.1.3 InChI Key
QXCHAADSAYQDHL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C#N)NC2=NC=CC(=N2)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 244768-32-9

2. 4-[(4-chloro-2-pyrimidinyl)amino]benzonitrile

3. Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-

4. 4-[(4-chloropyrimidin-2-yl)amino]benzonitrile

5. 4-(4-chloropyrimidin-2-ylamino)benzonitrile

6. 4-n[2(4-chloropyrimidinyl)]amino Benzonitrile

7. 4-[(4-chloro-2-pyrimidinyl)amino]-benzonitrile

8. 4-(4-chloro-pyrimidin-2-ylamino)benzonitrile

9. 4-((4-chloro-2-pyrimidinyl)amino)benzonitrile

10. 4-[(4-chloro-2-pyrimidinyl)amino)benzonitrile

11. Rilpivirine Chloro Impurity

12. Ec 607-384-4

13. Schembl867999

14. Dtxsid90458374

15. Bcp23055

16. Zinc8700528

17. Cl4549

18. Mfcd08443699

19. Akos015917905

20. He-0022

21. Ac-27707

22. Db-050609

23. A5035

24. Cs-0006975

25. Ft-0664940

26. 4-(4-chloropyrimidin-2-ylamino)-benzonitrile

27. 4-[(4chloro-2-pyrimidinyl)amino]benzonitrile

28. 4[(4-chloro-2-pyrimidinyl)amino]benzonitrile

29. 4-(4-chloro-pyrimidin-2-ylamino)-benzonitrile

30. 4-n[2(4-chloropyrimidinyl)]-amino Benzonitrile

31. A1-04830

32. W-206895

33. 4-[(4-chloropyrimidin-2-yl)amino]benzonitrile; 4-[(4-chloro-2-pyrimidinyl)amino]-benzonitrile

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 230.65 g/mol
Molecular Formula C11H7ClN4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area61.6
Heavy Atom Count16
Formal Charge0
Complexity266
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag India
Digital Content Digital Content
URL Supplier Web Content
CAS-4102-53-8
Rilpivirine
We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of...
We are Rampex Labs, a fully cGMP compliant pharmaceutical intermediates plant located in the outskirts of Hyderabad, India. Our company was founded in 2004 with commercial operations starting initially by outsourcing our production. In January 2008, our own production became operational and our journey really began. From our inception, we have strived to be the best and work with the best. Our client list comprises of some of the leading API producers within India and abroad. We at Rampex strongly believe that commitment to quality and timely deliveries ensure a very smooth working relationship with all our customers.
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