CAS 3988-03-2

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Also known as: 3988-03-2, Bis(4-bromophenyl)methanone, Methanone, bis(4-bromophenyl)-, P,p'-dibromobenzophenone, 4,4-dibromobenzophenone, Bis(p-bromophenyl) ketone

Molecular Formula

C₁₃H₈Br₂O

Molecular Weight

340.01 g/mol

InChI Key

LFABNOYDEODDFX-UHFFFAOYSA-N

1 2D Structure

CAS 3988-03-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

bis(4-bromophenyl)methanone

2.1.2 InChI

InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

2.1.3 InChI Key

LFABNOYDEODDFX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Br)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 3988-03-2

2. Bis(4-bromophenyl)methanone

3. Methanone, Bis(4-bromophenyl)-

4. P,p'-dibromobenzophenone

5. 4,4-dibromobenzophenone

6. Bis(p-bromophenyl) Ketone

7. Mfcd00016330

8. Benzophenone, 4,4'-dibromo-

9. Methanone, Bis[4-bromophenyl]-

10. Nsc86518

11. 4,4'-dibromobenzophenon

12. Benzophenone,4'-dibromo-

13. Bis(4-bromophenyl) Ketone

14. 4,4\'-dibromobenzophenone

15. Bis-(4-bromophenyl)methanone

16. 4,4 Inverted Exclamation Marka-dibromobenzophenone

17. Chembl75538

18. Schembl132367

19. Dtxsid00192919

20. 4,4'-dibromobenzophenone, 97%

21. Zinc155194

22. Act08021

23. Einecs 223-632-0

24. Ac-317

25. Bbl103287

26. Nsc 86518

27. Nsc-86518

28. Stl557097

29. Akos009159017

30. Cs-w004608

31. As-15648

32. Sy038970

33. Db-049492

34. D5211

35. Ft-0635095

36. Ft-0696463

37. 4,4 Inverted Exclamation Mark -dibromobenzophenone

38. 988d032

39. 4,4'-dibromobenzophenone, Purum, >=98.0% (gc)

40. F0001-1120

41. 4,4'-dibromobenzophenone, Pestanal(r), Analytical Standard

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₈Br₂O
Molecular Weight	340.01 g/mol
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	339.89214 g/mol
Monoisotopic Mass	337.89419 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	214
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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