CAS 188416-28-6

Chemistry, 1 End Use API, 18 Related Intermediates

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Also known as: 188416-28-6, 6-(1-bromoethyl)-4-chloro-5-fluoropyrimidine, 6-(1-bromo-ethyl)-4-chloro-5-fluoropyrimidine, 188416-30-0, 4-chloro-5-fluoro-6-(1-bromoethyl)-pyrimidine, Voriconazole impurity 3

Molecular Formula

C₆H₅BrClFN₂

Molecular Weight

239.47 g/mol

InChI Key

AAESVRBYUDTWKH-UHFFFAOYSA-N

1 2D Structure

CAS 188416-28-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine

2.1.2 InChI

InChI=1S/C6H5BrClFN2/c1-3(7)5-4(9)6(8)11-2-10-5/h2-3H,1H3

2.1.3 InChI Key

AAESVRBYUDTWKH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C1=C(C(=NC=N1)Cl)F)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 188416-28-6

2. 6-(1-bromoethyl)-4-chloro-5-fluoropyrimidine

3. 6-(1-bromo-ethyl)-4-chloro-5-fluoropyrimidine

4. 188416-30-0

5. 4-chloro-5-fluoro-6-(1-bromoethyl)-pyrimidine

6. Voriconazole Impurity 3

7. Schembl824165

8. Dtxsid90940340

9. Bcp04244

10. Mfcd08458246

11. Akos015892507

12. Ac-9024

13. Am84648

14. Cs-0001499

15. Ft-0651931

16. A24992

17. F19199

18. 6-(1-bromoethyl)-4-chloro-5-fluoro Pyrimidine

19. 416b286

20. Pyrimidine,4-(1-bromoethyl)-6-chloro-5-fluoro-

21. J-517977

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₅BrClFN₂
Molecular Weight	239.47 g/mol
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	237.93087 g/mol
Monoisotopic Mass	237.93087 g/mol
Topological Polar Surface Area	25.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	138
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

188416-28-6

Intermediate Name

4-(1-bromoethyl)-6-chloro-5-fluoro-...

About the Company

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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