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Also known as: 1012884-46-6, 11-chloro-2,3-dihydro-2-methyl-1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),7,9,11,15,17-heptaen-3-one, 11-chloro-2,3-dihydro-2-methyl-1h- dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one, 11-chloro-2,3-dihydro-2-methyl-, Schembl3152103
Molecular Formula
C17H12ClNO2
Molecular Weight
297.7  g/mol
InChI Key
KXKUDCTZEMWVDQ-UHFFFAOYSA-N

CAS 1012884-46-6
1 2D Structure

CAS 1012884-46-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),7,9,11,15,17-heptaen-3-one
2.1.2 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
2.1.3 InChI Key
KXKUDCTZEMWVDQ-UHFFFAOYSA-N
2.1.4 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-2,3-dihydro-2-methyl-1h-dibenz[2,3:6,7]oxepino[4,5-c]pyrrol-1-one

3. 17-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),2(6),7,9,11,15,17-heptaen-3-one

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

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

6. Schembl3152103

7. Dtxsid20438689

8. Bcp10013

9. Cs-m0228

10. Mfcd15145473

11. Zinc34126533

12. Akos016004062

13. Ac-26427

14. As-10031

15. Db-058588

16. Ft-0701646

17. 884d466

18. 11 -chloro-2-methyl-2,3 -dihydro-1h-dibenzo [2,3:6,7]oxepino[4,5-c]pyrrol-1-one

19. 11-chloro-2-methyl-2,3-dihydro-1h-dibenzo [2,3:6,7] Oxepino [4,5-c]pyrrol-1-one

20. 11-chloro-2-methyl-2,3-dihydro-1h-dibenzo [2,3:6,7]oxepino[4,5-c]pyrrol-1-one

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 297.7 g/mol
Molecular Formula C17H12ClNO2
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass297.0556563 g/mol
Monoisotopic Mass297.0556563 g/mol
Topological Polar Surface Area29.5 Ų
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

BUILDING BLOCK

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