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Home Nitro Compounds 78225-78-2
78225-78-2,MFCD00041247
Catalog No.:AA005CES

78225-78-2 | 3-Nitrobenzoyl isothiocyanate

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250mg
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1g
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5g
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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:
AA005CES
Chemical Name:
3-Nitrobenzoyl isothiocyanate
CAS Number:
78225-78-2
Molecular Formula:
C8H4N2O3S
Molecular Weight:
208.1940
MDL Number:
MFCD00041247
SMILES:
S=C=NC(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
294  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
1  
XLogP3:
3.6  

Downstream Synthesis Route

[1]SpectrochimicaActaPartA:MolecularandBiomolecularSpectroscopy,2013,vol.111,p.304-304

[1]Entezari,Najmeh;Akhlaghinia,Batool;Rouhi-Saadabad,Hamed[CroaticaChemicaActa,2014,vol.87,#3,p.201-206]

[2]Song,Gaopeng;Li,Jianzuo;Tian,Hao;Li,Yasheng;Hu,Dekun;Li,Ying;Cui,Zining[Lettersindrugdesignanddiscovery,2016,vol.13,#4,p.329-334]

[3]Martínez,Roberto;Espitia-Pinzón,ClaraI.;SilvaMiranda,Mayra;Chávez-Santos,RosaMaría;Pretelin-Castillo,Gustavo;Ramos-Orea,Aldahir;Hernández-Báez,ÁngelaM.;Cotlame-Pérez,Sandra;Pedraza-Rodríguez,Rogelio[DrugDevelopmentResearch,2020,vol.81,#3,p.350-355]

[1]Khaje-Kolaki,Aslan;Mokhtari,Babak[LettersinOrganicChemistry,2018,vol.15,#9,p.805-808]

Literature
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