CAS 461432-22-4

1 2D Structure

2D Structure

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 Formula	C₁₅H₁₂BrClO₂
Molecular Weight	339.61 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	337.97092 g/mol
Monoisotopic Mass	337.97092 g/mol
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	303
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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