1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3,4-dichlorophenyl)-phenylmethanone

2.1.2 InChI

InChI=1S/C13H8Cl2O/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

LLUPHTAYNHAVQT-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

A8X2V9A7UW

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 6284-79-3

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

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

4. (3,4-dichlorophenyl)-phenylmethanone

5. 3,4-dichlorophenyl Phenyl Ketone

6. A8x2v9a7uw

7. Nsc-5249

8. Benzophenone, 3,4-dichloro-

9. Nsc5249

10. Einecs 228-509-5

11. Benzophenone,4-dichloro-

12. Unii-a8x2v9a7uw

13. Schembl333237

14. Dtxsid90212014

15. Methanone,4-dichlorophenyl)phenyl-

16. Zinc156632

17. Amy32028

18. Nsc 5249

19. Mfcd00000552

20. 3,4-dichlorobenzophenone, Aldrichcpr

21. Akos009156379

22. (3,4-dichlorophenyl)(phenyl)methanone #

23. Ps-11162

24. Db-054303

25. Cs-0171247

26. D3574

27. Ft-0614233

28. 284d793

29. A834037

30. W-104952

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₈Cl₂O
Molecular Weight	251.10 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	249.9952203 g/mol
Monoisotopic Mass	249.9952203 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

CAS 6284-79-3

CAS 6284-79-3

CHEMISTRY

Discover Molecule Insights

Filters