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CAS 21084-22-0

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Also known as: 21084-22-0, (3-(trifluoromethyl)phenyl)(4-(trifluoromethyl)phenyl)methanone, [3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone, [3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]methanone, Methanone,[3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]-, Schembl2941622

Molecular Formula

C₁₅H₈F₆O

Molecular Weight

318.21 g/mol

InChI Key

HWBXNAPXNCBCQO-UHFFFAOYSA-N

1 2D Structure

CAS 21084-22-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone

2.1.2 InChI

InChI=1S/C15H8F6O/c16-14(17,18)11-6-4-9(5-7-11)13(22)10-2-1-3-12(8-10)15(19,20)21/h1-8H

2.1.3 InChI Key

HWBXNAPXNCBCQO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 21084-22-0

2. (3-(trifluoromethyl)phenyl)(4-(trifluoromethyl)phenyl)methanone

3. [3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanone

4. [3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]methanone

5. Methanone,[3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]-

6. Schembl2941622

7. Dtxsid00352915

8. Zinc155320

9. Amy31916

10. Methanone, [3-(trifluoromethyl)phenyl][4-(trifluoromethyl)phenyl]-

11. Mfcd00013561

12. Akos005257680

13. Ps-7057

14. 3,4'-bis(trifluoromethyl)-benzophenone

15. Benzophenone, 3,4'-bis(trifluoromethyl)-

16. Db-045475

17. Cs-0313647

18. Ft-0614191

19. A815128

2.3 Create Date

2005-07-08

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₈F₆O
Molecular Weight	318.21 g/mol
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	318.04793385 g/mol
Monoisotopic Mass	318.04793385 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	392
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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