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CHEMISTRY

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Chemistry

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Also known as: 37847-52-2, 2,4-difluoro-1,1'-biphenyl, 2,4-difluoro-1-phenylbenzene, 2,4-difluoro-1,1-biphenyl, 1,1'-biphenyl, 2,4-difluoro-, Einecs 253-690-2

Molecular Formula

C₁₂H₈F₂

Molecular Weight

190.19 g/mol

InChI Key

JVHAJKHGPDDEEU-UHFFFAOYSA-N

CAS 37847-52-2

1 2D Structure

CAS 37847-52-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4-difluoro-1-phenylbenzene

2.1.2 InChI

InChI=1S/C12H8F2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H

2.1.3 InChI Key

JVHAJKHGPDDEEU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 37847-52-2

2. 2,4-difluoro-1,1'-biphenyl

3. 2,4-difluoro-1-phenylbenzene

4. 2,4-difluoro-1,1-biphenyl

5. 1,1'-biphenyl, 2,4-difluoro-

6. Einecs 253-690-2

7. 2,4-difluoro-biphenyl

8. 2',4'-difluorobiphenyl

9. Schembl412228

10. Chembl121977

11. Jvhajkhgpddeeu-uhfffaoysa-

12. Dtxsid70191277

13. Zinc2584348

14. Mfcd00042515

15. Akos006230003

16. 2,4-difluoro-1,1'-biphenyl, 97%

17. Cs-w015898

18. Ac-10689

19. As-13070

20. Db-019937

21. D3450

22. Ft-0610097

23. D90192

24. 847d522

25. W-106508

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₈F₂
Molecular Weight	190.19 g/mol
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	190.05940658 g/mol
Monoisotopic Mass	190.05940658 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	175
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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