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157160-99-1,MFCD18452093
Catalog No.:AA001P6O

157160-99-1 | Benzoic acid, 4-chloro-3-nitro-, 1,1-dimethylethyl ester

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Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$45.00   $32.00
- +
5g
98%
in stock  
$128.00   $90.00
- +
10g
98%
in stock  
$211.00   $148.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001P6O
Chemical Name:
Benzoic acid, 4-chloro-3-nitro-, 1,1-dimethylethyl ester
CAS Number:
157160-99-1
Molecular Formula:
C11H12ClNO4
Molecular Weight:
257.6703
MDL Number:
MFCD18452093
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
308  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Patent:WO2005/28451,2005,A1.Locationinpatent:Page/Pagecolumn36

[2]BioorganicandMedicinalChemistryLetters,1996,vol.6,p.2735-2740

[3]JournaloftheChemicalSociety.PerkintransactionsI,1998,p.509-519

[4]Patent:US2006/35939,2006,A1.Locationinpatent:Page/Pagecolumn27

[1]VanDerAar,EllenM.;DeGroot,MarcelJ.;Bouwman,Tialda;Bijloo,GreetjeJ.;Commandeur,JanN.M.;Vermeulen,NicoP.E.[ChemicalResearchinToxicology,1997,vol.10,#4,p.439-449]

[1]CurrentPatentAssignee:THEUNIVERSITYOFAUCKLAND-US5985909,1999,A

[2]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-US2012/196824,2012,A1

[3]Tercel,Moana;Denny,WilliamA.[JournaloftheChemicalSociety.PerkintransactionsI,1998,#3,p.509-519]

[4]Tercel;Denny;Wilson[BioorganicandMedicinalChemistryLetters,1996,vol.6,#22,p.2735-2740]

[5]Kim,MiKyoung;Yoon,Hyunjun;Barnard,DaleLynn;Chong,Youhoon[ChemicalandPharmaceuticalBulletin,2013,vol.61,#4,p.486-488]

96-99-1   
1-cyclopropyl-1H-indole 
  157160-99-1 

[1]CurrentPatentAssignee:THEUNIVERSITYOFAUCKLAND-US6071908,2000,A

157160-99-1    111628-39-8   
C22H24N4O5 

[1]ChemicalandPharmaceuticalBulletin,2013,vol.61,p.486-488

Literature
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SDS
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Tags:157160-99-1 Molecular Formula|157160-99-1 MDL|157160-99-1 SMILES|157160-99-1 Benzoic acid, 4-chloro-3-nitro-, 1,1-dimethylethyl ester