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CAS 109113-72-6
PharmaCompass
CAS 109113-72-6
Also known as: 109113-72-6, Quinazoline, 2-(chloromethyl)-4-methyl-, 2-(chloromethyl)-4-methyl-quinazoline, 2-chloromethyl-4-methylquinazoline, Nsc48971, Ac1q2gnk
Molecular Formula
C10H9ClN2
Molecular Weight
192.646  g/mol
InChI Key
UHCUBOJGMLASBY-UHFFFAOYSA-N

1 2D Structure

CAS 109113-72-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(chloromethyl)-4-methylquinazoline
2.1.2 InChI
InChI=1S/C10H9ClN2/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-5H,6H2,1H3
2.1.3 InChI Key
UHCUBOJGMLASBY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=NC(=NC2=CC=CC=C12)CCl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 109113-72-6

2. Quinazoline, 2-(chloromethyl)-4-methyl-

3. 2-(chloromethyl)-4-methyl-quinazoline

4. 2-chloromethyl-4-methylquinazoline

5. Nsc48971

6. Ac1q2gnk

7. Ac1l67je

8. Schembl637147

9. Ctk6h6946

10. Dtxsid40287111

11. Molport-004-325-799

12. Uhcubojgmlasby-uhfffaoysa-n

13. 2-chloromethyl-4-methyl-quinazoline

14. Cs-m2666

15. Ks-00000ig7

16. Zinc1681137

17. Anw-47823

18. Mfcd09807547

19. Nsc-48971

20. Qc-233

21. Akos000165603

22. Gs-3878

23. Rp25207

24. Rtc-071187

25. 2-(chloro Methyl)-4-methyl Quinazoline

26. Ac-26252

27. Aj-29666

28. Ak-41056

29. Br-41056

30. He041639

31. Kb-15480

32. Sc-67265

33. (4-methyl-quinazolin-2-yl)-methylchloride

34. Ab0031645

35. Db-050603

36. St2404020

37. Tc-071187

38. Ft-0697295

39. X4792

40. En300-29653

41. S-7205

42. A1-00286

43. J-506297

44. I14-32201

45. Quinazoline, 2-(chloromethyl)-4-methyl-; 2-(chloromethyl)-4-methyl-quinazoline

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 192.646 g/mol
Molecular Formula C10H9ClN2
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass192.045 g/mol
Monoisotopic Mass192.045 g/mol
Topological Polar Surface Area25.8 A^2
Heavy Atom Count13
Formal Charge0
Complexity174
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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