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CAS 137234-74-3 manufacturers and suppliers on PharmaCompass

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CAS 137234-74-3
Also known as: 137234-74-3, Pyrimidine, 4-chloro-6-ethyl-5-fluoro-, Mfcd07782087, 4-chloro-6-ethyl-5-fluoro-pyrimidine, Ec 604-010-1, Schembl372414
Molecular Formula
C6H6ClFN2
Molecular Weight
160.58  g/mol
InChI Key
LKTGVRWVTAJGMS-UHFFFAOYSA-N

1 2D Structure

CAS 137234-74-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-6-ethyl-5-fluoropyrimidine
2.1.2 InChI
InChI=1S/C6H6ClFN2/c1-2-4-5(8)6(7)10-3-9-4/h3H,2H2,1H3
2.1.3 InChI Key
LKTGVRWVTAJGMS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC1=C(C(=NC=N1)Cl)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 137234-74-3

2. Pyrimidine, 4-chloro-6-ethyl-5-fluoro-

3. Mfcd07782087

4. 4-chloro-6-ethyl-5-fluoro-pyrimidine

5. Ec 604-010-1

6. Schembl372414

7. Dtxsid30587753

8. Act01620

9. Bcp04247

10. Cs-b1291

11. Zinc19615494

12. Akos005063655

13. Ac-4747

14. Pb10473

15. As-15052

16. Sy011522

17. Db-042382

18. Ft-0643264

19. 4-chloro-6-ethyl-5-fluoropyrimidine, Aldrichcpr

20. 234c743

21. Q-102789

22. F0001-0470

2.3 Create Date
2007-10-09
3 Chemical and Physical Properties
Molecular Weight 160.58 g/mol
Molecular Formula C6H6ClFN2
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass160.0203541 g/mol
Monoisotopic Mass160.0203541 g/mol
Topological Polar Surface Area25.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity112
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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