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Overview of CAS 21172-88-3

Client Email Product
4CH-012234
PharmaCompass
  • Chemistry
4CH-012234
Also known as: 21172-88-3, Ak100813, Schembl2301675, Ks-00000qvl, Dtxsid50524403, Molport-008-423-092
Molecular Formula
C9H10ClN
Molecular Weight
167.636  g/mol
InChI Key
ZUXMRCHYHAWERW-UHFFFAOYSA-N

1 2D Structure

4CH-012234

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-chloro-5,6,7,8-tetrahydroquinoline
2.1.2 InChI
InChI=1S/C9H10ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h5-6H,1-4H2
2.1.3 InChI Key
ZUXMRCHYHAWERW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCC2=C(C1)C=CC(=N2)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 21172-88-3

2. Ak100813

3. Schembl2301675

4. Ks-00000qvl

5. Dtxsid50524403

6. Molport-008-423-092

7. Zuxmrchyhawerw-uhfffaoysa-n

8. Anw-75116

9. Chloro-5,6,7,8-tetrahydroquinoline

10. Fch832556

11. Mfcd09034992

12. Zinc26507344

13. Akos004120924

14. Ds-3621

15. Mp-1414

16. Tra0052924

17. 2-chloro-5,6,7,8-tetrahydro-quinoline

18. Aj-82511

19. Da-08249

20. Sc-36283

21. Ab0057118

22. Ax8241730

23. Kb-229797

24. Quinoline, 2-chloro-5,6,7,8-tetrahydro-

25. Tc-163861

26. 4ch-012234

27. Ft-0762958

28. St24022144

29. Z4404

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 167.636 g/mol
Molecular Formula C9H10ClN
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass167.05 g/mol
Monoisotopic Mass167.05 g/mol
Topological Polar Surface Area12.9 A^2
Heavy Atom Count11
Formal Charge0
Complexity138
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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