CAS 4072-67-7

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Also known as: 4072-67-7, 1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethanone), 2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone, 4,4'-bis(bromoacetyl)biphenyl, Ethanone, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-bromo-, 1,1'-(1,1'-biphenyl)-4,4'-diylbis(2-bromoethan-1-one

Molecular Formula

C₁₆H₁₂Br₂O₂

Molecular Weight

396.07 g/mol

InChI Key

RTSLQVZQORGDQQ-UHFFFAOYSA-N

1 2D Structure

CAS 4072-67-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone

2.1.2 InChI

InChI=1S/C16H12Br2O2/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-8H,9-10H2

2.1.3 InChI Key

RTSLQVZQORGDQQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)CBr)C(=O)CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 4072-67-7

2. 1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethanone)

3. 2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone

4. 4,4'-bis(bromoacetyl)biphenyl

5. Ethanone, 1,1'-[1,1'-biphenyl]-4,4'-diylbis[2-bromo-

6. 1,1'-(1,1'-biphenyl)-4,4'-diylbis(2-bromoethan-1-one

7. Ethanone, 1,1'-(1,1'-biphenyl)-4,4'-diylbis(2-bromo-

8. 2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone;1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethanone);2-bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone

9. Einecs 223-785-3

10. Mfcd00017877

11. Nsc619613

12. 1,1'-([1,1'-biphenyl]-4,4'-diyl)bis(2-bromoethan-1-one)

13. 4,4'-bis-bromoacetylbiphenyl

14. Schembl689331

15. Dtxsid0063286

16. Amy8890

17. Bcp11440

18. Zinc1614316

19. 4,4''-bis(2-bromoacetyl)biphenyl

20. Akos015994936

21. Nsc-619613

22. S11035

23. Ac-28960

24. As-60505

25. 4,4'-bis (2-bromoacetyl) Biphenyl

26. A26175

27. 072b677

28. 1,1'-(1,1'-biphenyl)-4,4'-diylbis(2-bromoethan-1-one)

29. 2-bromo-1-[4'-(2-bromoacetyl)-[1,1'-biphenyl]-4-yl]ethan-1-one

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₂Br₂O₂
Molecular Weight	396.07 g/mol
XLogP3	4.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	395.91836 g/mol
Monoisotopic Mass	393.92040 g/mol
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	306
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