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Chemistry

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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

CAS 66353-47-7
1 2D Structure

CAS 66353-47-7

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

BUILDING BLOCK

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