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476660-41-0,MFCD18071079
Catalog No.:AA00DD63

476660-41-0 | 2-Carboxy-5-chloro-4-nitrotoluene

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250mg
95%
in stock  
$33.00   $23.00
- +
1g
95%
in stock  
$123.00   $86.00
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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:
AA00DD63
Chemical Name:
2-Carboxy-5-chloro-4-nitrotoluene
CAS Number:
476660-41-0
Molecular Formula:
C8H6ClNO4
Molecular Weight:
215.5905
MDL Number:
MFCD18071079
SMILES:
[O-][N+](=O)c1cc(C(=O)O)c(cc1Cl)C
Properties
Computed Properties
 
Complexity:
252  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
2.3  

Downstream Synthesis Route

[1]JustusLiebigsAnnalenderChemie,1893,vol.274,p.291

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

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

[1]JustusLiebigsAnnalenderChemie,1893,vol.274,p.291

[1]JustusLiebigsAnnalenderChemie,1893,vol.274,p.291

1-<4-chloro-5-nitro-2-methyl-phenyl>-ethanone-(1) 
  476660-41-0    35010-28-7 

[1]ChemischeBerichte,1932,vol.65,p.1295,1296

[1]ChemischeBerichte,1932,vol.65,p.1295,1296

Literature
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SDS
Tags:476660-41-0 Molecular Formula|476660-41-0 MDL|476660-41-0 SMILES|476660-41-0 2-Carboxy-5-chloro-4-nitrotoluene