1 2D Structure

2D Structure

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

4. Mfcd13151897

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

6. Schembl999683

7. Amy3331

8. Dtxsid80599422

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

10. Bcp07689

11. Cs-m1491

12. Wfa53341

13. Zinc71257411

14. Akos017560636

15. Sb14842

16. Ac-29730

17. As-10209

18. Sy115961

19. 4,6-dichloro-5-(4-bromophenyl)-pyrimidine

20. Ft-0699560

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

22. A855946

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₅BrCl₂N₂
Molecular Weight	303.97 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	301.90132 g/mol
Monoisotopic Mass	301.90132 g/mol
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	200
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 146533-41-7

CAS 146533-41-7

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