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CHEMISTRY

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Chemistry

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Also known as: Bis(3-fluorophenyl)methanone, 345-70-0, Methanone, bis(3-fluorophenyl)-, 3,3?-difluorobenzophenone, 3,3'-difluoro-benzophenone, Anilinehydrogenphthalate

Molecular Formula

C₁₃H₈F₂O

Molecular Weight

218.20 g/mol

InChI Key

UBJLBNGSWJBOGI-UHFFFAOYSA-N

CAS 345-70-0

1 2D Structure

CAS 345-70-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

bis(3-fluorophenyl)methanone

2.1.2 InChI

InChI=1S/C13H8F2O/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h1-8H

2.1.3 InChI Key

UBJLBNGSWJBOGI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC(=C1)F)C(=O)C2=CC(=CC=C2)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Bis(3-fluorophenyl)methanone

2. 345-70-0

3. Methanone, Bis(3-fluorophenyl)-

4. 3,3?-difluorobenzophenone

5. 3,3'-difluoro-benzophenone

6. Anilinehydrogenphthalate

7. Schembl1258944

8. Bis(3-fluorophenyl)methanone #

9. Bis-(3-fluoro-phenyl)-methanone

10. Dtxsid10342185

11. 3,3'-difluorobenzophenone, 99%

12. Zinc155273

13. Cl8647

14. Mfcd00000337

15. Akos009157039

16. Am61471

17. Cs-w014800

18. As-46064

19. Db-021804

20. Ft-0614054

21. A874940

22. J-019651

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₈F₂O
Molecular Weight	218.20 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	218.05432120 g/mol
Monoisotopic Mass	218.05432120 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	230
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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