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Also known as: 13036-57-2, 2-chloro-4-methyl-pyrimidine, Pyrimidine, 2-chloro-4-methyl-, Mfcd00054434, 4-methyl-2-chloropyrimidine, Chloro-6 methylpyrimidine
Molecular Formula
C5H5ClN2
Molecular Weight
128.56  g/mol
InChI Key
BHAKRVSCGILCEW-UHFFFAOYSA-N

CAS 13036-57-2
1 2D Structure

CAS 13036-57-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-4-methylpyrimidine
2.1.2 InChI
InChI=1S/C5H5ClN2/c1-4-2-3-7-5(6)8-4/h2-3H,1H3
2.1.3 InChI Key
BHAKRVSCGILCEW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC(=NC=C1)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 13036-57-2

2. 2-chloro-4-methyl-pyrimidine

3. Pyrimidine, 2-chloro-4-methyl-

4. Mfcd00054434

5. 4-methyl-2-chloropyrimidine

6. Chloro-6 Methylpyrimidine

7. 2-chloro-4-methyl Pyrimidine

8. 4-methyl-2-chloro-pyrimidine

9. Schembl108558

10. 4-methyl-2-pyrimidinylchloride

11. Dtxsid40469672

12. Bhakrvscgilcew-uhfffaoysa-n

13. Cs-d1513

14. 2-chloro-4-methylpyrimidine, 97%

15. Sc2231

16. Akos000283811

17. Ac-6943

18. Fa-0251

19. Pb14106

20. 2-chloro-4-methylpyrimidine, Aldrichcpr

21. Sy005393

22. Am20080213

23. C2631

24. Ft-0600383

25. En300-66622

26. W-201031

27. Z1065586248

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 128.56 g/mol
Molecular Formula C5H5ClN2
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area25.8
Heavy Atom Count8
Formal Charge0
Complexity76.8
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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