CAS 85118-07-6

Trusted Global CDMO Partner Delivering End-to-End Pharma Manufacturing & Development Solutions.

Virtual Booth

Contact Supplier

Evonik Health Care is the innovation hub for leading life science companies

CHEMISTRY

Discover Molecule Insights

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 85118-07-6, (3,4-difluorophenyl)(phenyl)methanone, Methanone, (3,4-difluorophenyl)phenyl-, (3,4-difluorophenyl)-phenylmethanone, Mfcd00009892, 3,4-difluorophenyl phenyl ketone

Molecular Formula

C₁₃H₈F₂O

Molecular Weight

218.20 g/mol

InChI Key

ZJTYHSBOZAQQGF-UHFFFAOYSA-N

1 2D Structure

CAS 85118-07-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3,4-difluorophenyl)-phenylmethanone

2.1.2 InChI

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

2.1.3 InChI Key

ZJTYHSBOZAQQGF-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 85118-07-6

2. (3,4-difluorophenyl)(phenyl)methanone

3. Methanone, (3,4-difluorophenyl)phenyl-

4. (3,4-difluorophenyl)-phenylmethanone

5. Mfcd00009892

6. 3,4-difluorophenyl Phenyl Ketone

7. Einecs 285-659-4

8. Schembl332679

9. 3,4-difluorobenzophenone, 98%

10. Dtxsid80234245

11. Zinc155254

12. Act12894

13. (3,4-difluorophenyl)phenylmethanone

14. Akos005257890

15. Ac-1570

16. Am62121

17. Cs-w014804

18. (3,4-difluorophenyl)(phenyl)methanone #

19. Ns-02554

20. Db-021887

21. D3576

22. Ft-0614281

23. A19681

24. N11928

25. Amino-(tetrahydropyran-4-yl)aceticacidmethylester

26. J-501095

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₈F₂O
Molecular Weight	218.20 g/mol
XLogP3	3.7
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	248
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

Privacy policy
Terms and conditions
Disclaimers
Product listings are provided for informational purposes only. We do not supply or sell any products. Any products that may be covered by patent(s) are supplied solely for uses permitted under Section 107A of the Indian Patents Act and not for commercial sale.

CAS 85118-07-6 manufacturers and suppliers on PharmaCompass

CHEMISTRY

Discover Molecule Insights

What are you looking for?