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ScientificNameLabel
2- phenylnitroethane
PHCD compound ID : 5454
Chemical Names :
2- phenylnitroethane
Molecular Formula : C8H9N1O2
Molecular Weight : 151.063329
More Details :
Names & Synonyms: 2-nitroethylbenzene
Smiles: [O-][N+](=O)CCc1ccccc1
InChi : InChI=1S/C8H9NO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChi Key : InChIKey=XAWCLWKTUKMCMO-UHFFFAOYSA-N
PubChem ID : 80208
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 10.049336
Hydrogen bond donor count : 0 Electric dipole moment : 4.229
XLogP : 1.854 VDW volume : 141.699256
Molecular weight : 151.063329 HOMO-LUMO gap : 9.735000
Herb list :
Refrences & Litretures:
  
908.      Journal:'Journal of Herbal Drugs'      Year:'2015'      Volume:'6'      Page:'109'      DOI:''      Title:'Essential oil composition of Elaeagnus angustifolia and Elaeagnus orientalis from Sistan and Baluchestan, Iran'
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