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654682-18-5,MFCD16038495
Catalog No.:AA00EL3P

654682-18-5 | 1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA00EL3P
Chemical Name:
1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone
CAS Number:
654682-18-5
Molecular Formula:
C14H9Cl3O
Molecular Weight:
299.5797
MDL Number:
MFCD16038495
SMILES:
Clc1ccc(cc1)C(=O)Cc1ccc(cc1Cl)Cl
Properties
Properties
 
Form:
Solid  

Computed Properties
 
Complexity:
287  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
5.1  

Downstream Synthesis Route
51-80-9    654682-18-5   
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-3-dimethylamino-propan-1-one 

[1]Takahashi,Kimio;Shimizu,Sumio;Ogata,Masaru[SyntheticCommunications,1987,vol.17,#7,p.809-816]

[1]Takahashi,Kimio;Shimizu,Sumio;Ogata,Masaru[SyntheticCommunications,1987,vol.17,#7,p.809-816]

[2]Ogata;Matsumoto;Takahashi;Shimizu;Kida;Murabayashi;Shiro;Tawara[JournalofMedicinalChemistry,1987,vol.30,#6,p.1054-1068]

[3]CurrentPatentAssignee:ASTRAZENECAPLC-WO2004/11410,2004,A1Locationinpatent:Page129

[4]CurrentPatentAssignee:SANOFI-US2008/21070,2008,A1Locationinpatent:Page/Pagecolumn9

[1]Lange,JosH.M.;VanStuivenberg,HermanH.;Coolen,HeinK.A.C.;Adolfs,TinyJ.P.;McCreary,AndrewC.;Keizer,HiskiasG.;Wals,HenriC.;Veerman,Willem;Borst,AliceJ.M.;DeLooff,Wouter;Verveer,PeterC.;Kruse,ChrisG.[JournalofMedicinalChemistry,2005,vol.48,#6,p.1823-1838]

[1]Lange,JosH.M.;VanStuivenberg,HermanH.;Coolen,HeinK.A.C.;Adolfs,TinyJ.P.;McCreary,AndrewC.;Keizer,HiskiasG.;Wals,HenriC.;Veerman,Willem;Borst,AliceJ.M.;DeLooff,Wouter;Verveer,PeterC.;Kruse,ChrisG.[JournalofMedicinalChemistry,2005,vol.48,#6,p.1823-1838]

[2]CurrentPatentAssignee:SANOFI-US2008/269303,2008,A1Locationinpatent:Page/Pagecolumn7

[1]Bhatt,Ulhas;Duffy,BryanC.;Guzzo,PeterR.;Cheng,Leifeng;Elebring,Thomas[SyntheticCommunications,2007,vol.37,#16,p.2793-2806]

Literature
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SDS
Tags:654682-18-5 Molecular Formula|654682-18-5 MDL|654682-18-5 SMILES|654682-18-5 1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)ethanone