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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

BUILDING BLOCK

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