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CAS 146533-41-7
PharmaCompass
CAS 146533-41-7
Also known as: 146533-41-7, Pyrimidine, 5-(4-bromophenyl)-4,6-dichloro-, 5-(4-bromophenyl)-4,6-dichloro-pyrimidine, C10h5brcl2n2, Acmc-20n4v3, Schembl999683
Molecular Formula
C10H5BrCl2N2
Molecular Weight
303.968  g/mol
InChI Key
WEEFLZORZXLIJE-UHFFFAOYSA-N

1 2D Structure

CAS 146533-41-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
5-(4-bromophenyl)-4,6-dichloropyrimidine
2.1.2 InChI
InChI=1S/C10H5BrCl2N2/c11-7-3-1-6(2-4-7)8-9(12)14-5-15-10(8)13/h1-5H
2.1.3 InChI Key
WEEFLZORZXLIJE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C2=C(N=CN=C2Cl)Cl)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 146533-41-7

2. Pyrimidine, 5-(4-bromophenyl)-4,6-dichloro-

3. 5-(4-bromophenyl)-4,6-dichloro-pyrimidine

4. C10h5brcl2n2

5. Acmc-20n4v3

6. Schembl999683

7. Ctk0b2390

8. Dtxsid80599422

9. Molport-027-354-757

10. Weeflzorzxlije-uhfffaoysa-n

11. Cs-m1491

12. 3309ah

13. Mfcd13151897

14. Zinc71257411

15. Akos017560636

16. Qc-9668

17. Ks-000002e0

18. Ak161021

19. As-10209

20. He060080

21. Kb-80250

22. Sc-90104

23. 4,6-dichloro-5-(4-bromophenyl)pyrimidine

24. Aj-117823

25. 4,6-dichloro-5-(4-bromophenyl)-pyrimidine

26. Ft-0699560

27. St24044197

28. Pyrimidine,5-(4-bromophenyl)-4,6-dichloro-

29. Pyrimidine Pound Not 5-(4-bromophenyl)-4 Pound Not6-dichloro

2.3 Create Date
2007-12-05
3 Chemical and Physical Properties
Molecular Weight 303.968 g/mol
Molecular Formula C10H5BrCl2N2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass301.901 g/mol
Monoisotopic Mass301.901 g/mol
Topological Polar Surface Area25.8 A^2
Heavy Atom Count15
Formal Charge0
Complexity200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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