CAS 13036-57-2

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Chemistry

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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

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 Formula	C₅H₅ClN₂
Molecular Weight	128.56 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	25.8
Heavy Atom Count	8
Formal Charge	0
Complexity	76.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1