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Technical details about CAS 1207-69-8, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
Also known as: 1207-69-8, Acridine, 9-chloro-, 9-chloro-acridine, Chembl2180144, Mfcd00022266, 9-chloracridin
Molecular Formula
C13H8ClN
Molecular Weight
213.66  g/mol
InChI Key
BPXINCHFOLVVSG-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
9-chloroacridine
2.1.2 InChI
InChI=1S/C13H8ClN/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8H
2.1.3 InChI Key
BPXINCHFOLVVSG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1207-69-8

2. Acridine, 9-chloro-

3. 9-chloro-acridine

4. Chembl2180144

5. Mfcd00022266

6. 9-chloracridin

7. Einecs 214-895-2

8. Nsc 51950

9. Ai3-52323

10. 9-chloroacridine, 97%

11. Schembl455949

12. Dtxsid4061622

13. Bcp14588

14. Nsc51950

15. Bdbm50399159

16. Nsc-51950

17. Akos001443923

18. Cs-w014955

19. As-17688

20. Sy040956

21. Db-041578

22. Ns00023930

23. En300-31165

24. A18126

25. D70153

26. J-640187

27. J-800188

28. W-108471

29. Z319319318

30. Inchi=1/c13h8cln/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1-8

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 213.66 g/mol
Molecular Formula C13H8ClN
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area12.9
Heavy Atom Count15
Formal Charge0
Complexity209
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1