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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

CAS 137234-74-3
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

BUILDING BLOCK

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