4-bromo-1-chloro-2-(4-ethoxybenzyl)benzene

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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

4-bromo-1-chloro-2-(4-ethoxybenzyl)benzene

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 Formula	C₁₅H₁₄BrClO
Molecular Weight	325.63 g/mol
XLogP3	5.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	323.99166 g/mol
Monoisotopic Mass	323.99166 g/mol
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	241
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