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Home Nitro Compounds 18211-41-1
18211-41-1,MFCD00445193
Catalog No.:AA0023AZ

18211-41-1 | 2-(4-Nitrophenyl)benzoic acid

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Purity
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Price(USD)
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1g
96%
in stock  
$261.00   $183.00
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5g
96%
in stock  
$809.00   $567.00
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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:
AA0023AZ
Chemical Name:
2-(4-Nitrophenyl)benzoic acid
CAS Number:
18211-41-1
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD00445193
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccccc1C(=O)O
NSC Number:
86911
Properties
Computed Properties
 
Complexity:
317  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.7  

Downstream Synthesis Route

[1]Neustadt,BernardR.;Smith,ElizabethM.;Lindo,Neil;Nechuta,Terry;Bronnenkant,Alan;Wu,Arthur;Armstrong,Lydia;Kumar,Chandra[BioorganicandMedicinalChemistryLetters,1998,vol.8,#17,p.2395-2398]

[2]Kuehling[ChemischeBerichte,1896,vol.29,p.168]

[3]Dannley;Sternfeld[JournaloftheAmericanChemicalSociety,1954,vol.76,p.4543,4544]

[4]Matsuhisa,Akira;Tanaka,Akihiro;Kikuchi,Kazumi;Shimada,Yoshiaki;Yatsu,Takeyuki;Yanagisawa,Isao[ChemicalandPharmaceuticalBulletin,1997,vol.45,#11,p.1870-1874]

[1]Glover,StephenA.;Golding,StephenL.;Goosen,Andre;McCleland,CedricW.[JournaloftheChemicalSociety.PerkintransactionsI,1981,p.842-848]

[1]Synthesis,2002,p.1043-1046

Literature
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SDS
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Tags:18211-41-1 Molecular Formula|18211-41-1 MDL|18211-41-1 SMILES|18211-41-1 2-(4-Nitrophenyl)benzoic acid