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Also known as: 461432-22-4, Methanone, (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-, (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone, 5-bromo-2-chloro-4'-ethoxybenzophenone, Dapagliflozin impurity 6, Schembl17019
Molecular Formula
C15H12BrClO2
Molecular Weight
339.61  g/mol
InChI Key
OEURLNJEQCLGPS-UHFFFAOYSA-N

CAS 461432-22-4
1 2D Structure

CAS 461432-22-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone
2.1.2 InChI
InChI=1S/C15H12BrClO2/c1-2-19-12-6-3-10(4-7-12)15(18)13-9-11(16)5-8-14(13)17/h3-9H,2H2,1H3
2.1.3 InChI Key
OEURLNJEQCLGPS-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 461432-22-4

2. Methanone, (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-

3. (5-bromo-2-chlorophenyl)-(4-ethoxyphenyl)methanone

4. 5-bromo-2-chloro-4'-ethoxybenzophenone

5. Dapagliflozin Impurity 6

6. Schembl17019

7. Dtxsid30434334

8. Bcp09251

9. Cs-b0022

10. Mfcd11044417

11. Zinc34094196

12. Akos009476100

13. Ac-27004

14. Ds-13458

15. Db-011718

16. Am20090706

17. Ft-0654424

18. 432b224

19. (5-bromo-2-chloro Phenyl)(4-ethoxyphenyl)methanone

20. (5-bromo-2-chlorophenyl)(4-ethoxyphenyl) Methanone

21. (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)-methanone

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 339.61 g/mol
Molecular Formula C15H12BrClO2
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass337.97092 g/mol
Monoisotopic Mass337.97092 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count19
Formal Charge0
Complexity303
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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