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2D Structure
Also known as: 461432-23-5, 4-(5-bromo-2-chlorobenzyl)phenyl ethyl ether, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene, 5-bromo-2-chloro-4'-ethoxydiphenylmethane, Benzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-, Mfcd11042292
Molecular Formula
C15H14BrClO
Molecular Weight
325.63  g/mol
InChI Key
ZUNCHZBITMUSRD-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene
2.1.2 InChI
InChI=1S/C15H14BrClO/c1-2-18-14-6-3-11(4-7-14)9-12-10-13(16)5-8-15(12)17/h3-8,10H,2,9H2,1H3
2.1.3 InChI Key
ZUNCHZBITMUSRD-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)Br)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 461432-23-5

2. 4-(5-bromo-2-chlorobenzyl)phenyl Ethyl Ether

3. 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene

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

5. Benzene, 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-

6. Mfcd11042292

7. 2-(4-ethoxybenzyl)-4-bromo-1-chlorobenzene

8. 432b235

9. 5-bromo-2-chloro-4 Inverted Exclamation Mark -ethoxydiphenylmethane

10. Schembl38150

11. Dtxsid60433931

12. Bcp08717

13. Cs-b0023

14. Zinc34781172

15. Akos015917373

16. Sb17549

17. Ac-26384

18. Ds-12747

19. Sy025637

20. Am20040524

21. Ft-0689551

22. 4-bromo-1-chloro-2-(4-ethoxy-benzyl)-benzene

23. (5-bromo-2-chlorophenyl)(4-ethoxyphenyl)methane

24. A849902

25. 4-bromo-1-chloro-2-(4-ethoxyphenyl)methyl-benzene

26. 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]-benzene

27. 4-bromo-1-chloro-2-[(4-ethoxyphenyl)methyl]benzene; 4-(5-bromo-2-chlorobenzyl)phenyl Ethyl Ether; 5-bromo-2-chloro-4?-ethoxydiphenylmethane

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 325.63 g/mol
Molecular Formula C15H14BrClO
XLogP35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass323.99166 g/mol
Monoisotopic Mass323.99166 g/mol
Topological Polar Surface Area9.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity241
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1