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CAS 1012884-46-6
PharmaCompass
CAS 1012884-46-6
Also known as: 1012884-46-6, 11-chloro-2-methyl-2,3-dihydro-1h-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3-dihydro-2-methyl-1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, Schembl3152103, Ctk8b9660, Dtxsid20438689
Molecular Formula
C17H12ClNO2
Molecular Weight
297.738  g/mol
InChI Key
KXKUDCTZEMWVDQ-UHFFFAOYSA-N

1 2D Structure

CAS 1012884-46-6

2 Identification
2.1 Computed Descriptors
2.1.1 InChI
InChI=1S/C17H12ClNO2/c1-19-9-13-11-4-2-3-5-14(11)21-15-7-6-10(18)8-12(15)16(13)17(19)20/h2-8H,9H2,1H3
2.1.2 InChI Key
KXKUDCTZEMWVDQ-UHFFFAOYSA-N
2.1.3 Canonical SMILES
CN1CC2=C(C1=O)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1012884-46-6

2. 11-chloro-2-methyl-2,3-dihydro-1h-dibenzo[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

3. 11-chloro-2,3-dihydro-2-methyl-1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

4. Schembl3152103

5. Ctk8b9660

6. Dtxsid20438689

7. Molport-023-331-810

8. Cs-m0228

9. Ks-00000q6j

10. 0363aa

11. Anw-62855

12. Mfcd15145473

13. Zinc34126533

14. Akos016004062

15. Ac-26427

16. Aj-87080

17. Ak101594

18. As-10031

19. Kb-64801

20. Db-058588

21. Tc-151600

22. Ft-0701646

23. St24038234

24. 11-chloro-2-methyl-2,3-dihydro-1h-dibenzo[2,3

25. 884d466

26. 11 -chloro-2-methyl-2,3 -dihydro-1h-dibenzo [2,3:6,7]oxepino[4,5-c]pyrrol-1-one

27. 11-chloro-2-methyl-2,3-dihydro-1h-dibenzo [2,3:6,7] Oxepino [4,5-c]pyrrol-1-one

28. 11-chloro-2-methyl-2,3-dihydro-1h-dibenzo [2,3:6,7]oxepino[4,5-c]pyrrol-1-one

29. 1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3-dihydro-2-methyl-

30. 17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0(2),?.0?,(1)(2)]octadeca-1(14),2(6),7,9,11,15,17-heptaen-3-one

31. 17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0(2),?.0?,(1)(2)]octadeca-1(18),2(6),7,9,11,14,16-heptaen-3-one

32. 17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0_,?.0?,__]octadeca-1(18),2(6),7(12),8,10,14,16-heptaen-3-one

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 297.738 g/mol
Molecular Formula C17H12ClNO2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass297.056 g/mol
Monoisotopic Mass297.056 g/mol
Topological Polar Surface Area29.5 A^2
Heavy Atom Count21
Formal Charge0
Complexity489
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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