CAS 1207-69-8

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Chemistry

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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

CAS 1207-69-8

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 Formula	C₁₃H₈ClN
Molecular Weight	213.66 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	12.9
Heavy Atom Count	15
Formal Charge	0
Complexity	209
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