Home Nitro Compounds 5737-85-9
5737-85-9,MFCD01846432
Catalog No.:AA00ECVF

5737-85-9 | 4-(3-Nitrophenyl)benzoic acid

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1g
95%
in stock  
$112.00   $78.00
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5g
95%
in stock  
$261.00   $183.00
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25g
95%
in stock  
$544.00   $381.00
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100g
95%
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$1,407.00   $985.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00ECVF
Chemical Name:
4-(3-Nitrophenyl)benzoic acid
CAS Number:
5737-85-9
Molecular Formula:
C13H9NO4
Molecular Weight:
243.2149
MDL Number:
MFCD01846432
SMILES:
[O-][N+](=O)c1cccc(c1)c1ccc(cc1)C(=O)O
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:
3.4  

Downstream Synthesis Route

[1]Berliner;Liu[JournaloftheAmericanChemicalSociety,1953,vol.75,p.2417,2420]

[1]Berliner;Blommers[JournaloftheAmericanChemicalSociety,1951,vol.73,p.2479,2480]

[2]Byron,D.J.etal.[JournaloftheChemicalSocietyC:Organic,1966,p.840-845]

[1]Jarvis,Ashley;Allerston,CharlesK.;Jia,Haiyan;Herzog,Birger;Garza-Garcia,Acely;Winfield,Natalie;Ellard,Katie;Aqil,Rehan;Lynch,Rosemary;Chapman,Chris;Hartzoulakis,Basil;Nally,James;Stewart,Mark;Cheng,Lili;Menon,Malini;Tickner,Michelle;Djordjevic,Snezana;Driscoll,PaulC.;Zachary,Ian;Selwood,DavidL.[JournalofMedicinalChemistry,2010,vol.53,#5,p.2215-2226]

[2]Makarowaetal.[IzvestiyaAkademiiNaukSSSR,SeriyaKhimicheskaya,1958,p.1452,1457;engl.Ausg.S.1399,1404]

[1]Kenneretal.[Tetrahedron,1957,vol.1,p.259,267]

[2]Ananthakrishnanadar,Ponnambalanad.;Kannan,Nagarathnam[JournaloftheChemicalSociety.PerkintransactionsII,1984,#1,p.35-38]

[1]Hey;Walker[JournaloftheChemicalSociety,1948,p.2213,2216]

Literature
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SDS
Tags:5737-85-9 Molecular Formula|5737-85-9 MDL|5737-85-9 SMILES|5737-85-9 4-(3-Nitrophenyl)benzoic acid