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Chemistry

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Also known as: 898044-55-8, Amy109, Schembl1368468, Dtxsid50595890, Mfcd16988365, Zinc82046538
Molecular Formula
C5H4ClFN2
Molecular Weight
146.55  g/mol
InChI Key
GHMKXPYBLNJQIK-UHFFFAOYSA-N

AMY109
1 2D Structure

AMY109

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-chloro-5-fluoro-6-methylpyrimidine
2.1.2 InChI
InChI=1S/C5H4ClFN2/c1-3-4(7)5(6)9-2-8-3/h2H,1H3
2.1.3 InChI Key
GHMKXPYBLNJQIK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C(=NC=N1)Cl)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 898044-55-8

2. Amy109

3. Schembl1368468

4. Dtxsid50595890

5. Mfcd16988365

6. Zinc82046538

7. Akos011693631

8. Cs-w018883

9. Sb55736

10. Da-18299

11. Ds-16867

12. Ft-0750038

13. En300-62970

14. C77032

15. A861057

16. Z988984134

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 146.55 g/mol
Molecular Formula C5H4ClFN2
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area25.8
Heavy Atom Count9
Formal Charge0
Complexity101
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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