CAS 1438383-89-1

1 2D Structure

CAS 1438383-89-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

9-bromo-3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one

2.1.2 InChI

InChI=1S/C19H14Br2O3/c20-8-17(22)11-1-3-13-12(5-11)9-24-18-7-14-10(6-15(13)18)2-4-16(21)19(14)23/h1,3,5-7,16H,2,4,8-9H2

2.1.3 InChI Key

NVSLOKHCHIFJDR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CC2=CC3=C(C=C2C(=O)C1Br)OCC4=C3C=CC(=C4)C(=O)CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1438383-89-1

2. 9-bromo-3-(2-bromo Acetyl)-10,11-dihydro-5h-dibenzo(c,g) Chromen-8(9h)-one

3. 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-5h-benzo[d]naphtho[2,3-b]pyran-8(9h)-one

4. 9-bromo-3-(2-bromoacetyl)-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one

5. 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-5h-dibenzo(c,g)chromen-8(9h)-one

6. Schembl14969026

7. Amy4215

8. Tqp0862

9. Dtxsid601131298

10. Mfcd30187854

11. Ac-29303

12. Bs-53289

13. Db-118928

14. Ec 807-426-3

15. I11801

16. 5h-benzo[d]naphtho[2,3-b]pyran-8(9h)-one, 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-

17. 9-bromo-3-(2-bromo Acetyl)-10,11-dihydro-5h-dibenzo[c, G]chromen-8(9h)-one

18. 9-bromo-3-(2-bromo Acetyl)-10,11-dihydro-5h-dibenzo[c,g]chromen-(9h)-one

19. 9-bromo-3-(2-bromoacetyl)-10,11-dihydro-5h-dibenzo [c,g]chromen-8(9h)-one

2.3 Create Date

2015-02-02

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₁₄Br₂O₃
Molecular Weight	450.1 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	449.92892 g/mol
Monoisotopic Mass	447.93097 g/mol
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	523
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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