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190367-56-7,MFCD22571065
Catalog No.:AA002EFE

190367-56-7 | Methyl 4-chloro-2-methyl-5-nitrobenzoate

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Purity
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1g
95%
in stock  
$47.00   $33.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002EFE
Chemical Name:
Methyl 4-chloro-2-methyl-5-nitrobenzoate
CAS Number:
190367-56-7
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD22571065
SMILES:
COC(=O)c1cc([N+](=O)[O-])c(cc1C)Cl
Properties
Computed Properties
 
Complexity:
265  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
2  
XLogP3:
2.6  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1997,vol.40,p.2017-2034

[2]JournalofMedicinalChemistry,2019,vol.62,p.2541-2563

[1]Baumgarth,Manfred;Beier,Norbert;Gericke,Rolf[JournalofMedicinalChemistry,1997,vol.40,#13,p.2017-2034]

[1]Patent:US2003/236251,2003,A1.Locationinpatent:Page24-25

[1]Patent:US2003/236251,2003,A1.Locationinpatent:Page24-25

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2016/185279,2016,A1Locationinpatent:Page/Pagecolumn110;111

Literature
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SDS
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