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2D Structure
Also known as: 66353-47-7, 1-(2,4-dichlorophenyl)butan-1-one, Mfcd09028060, 1-butanone, 1-(2,4-dichlorophenyl)-, 2,4-dichlorophenyl propyl ketone, 2,4-dichloro butyrophenone
Molecular Formula
C10H10Cl2O
Molecular Weight
217.09  g/mol
InChI Key
FXCJYMLJTUZGDU-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(2,4-dichlorophenyl)butan-1-one
2.1.2 InChI
InChI=1S/C10H10Cl2O/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h4-6H,2-3H2,1H3
2.1.3 InChI Key
FXCJYMLJTUZGDU-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCC(=O)C1=C(C=C(C=C1)Cl)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 66353-47-7

2. 1-(2,4-dichlorophenyl)butan-1-one

3. Mfcd09028060

4. 1-butanone, 1-(2,4-dichlorophenyl)-

5. 2,4-dichlorophenyl Propyl Ketone

6. 2,4-dichloro Butyrophenone

7. 2`,4`-dichlorobutyrophenone

8. Schembl2125979

9. 2\',4\'-dichlorobutyrophenone

10. Dtxsid10524848

11. Zinc22001495

12. Akos010522895

13. Ac-8764

14. As-31021

15. Sy015391

16. Am20040981

17. Cs-0224136

18. D3468

19. Ft-0641063

20. Z1696844494

21. 2 Inverted Exclamation Mark ,4 Inverted Exclamation Mark -dichlorobutyrophenone

2.3 Create Date
2007-02-08
3 Chemical and Physical Properties
Molecular Weight 217.09 g/mol
Molecular Formula C10H10Cl2O
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass216.0108703 g/mol
Monoisotopic Mass216.0108703 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity182
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1