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2,4-Dinitroanisole
PHCD compound ID : 4318
Chemical Names :
2,4-Dinitroanisole
Molecular Formula : C7H6N2O5
Molecular Weight : 198.027671
More Details :
Names & Synonyms: 1-methoxy-2,4-dinitro-benzene , 1-methoxy-2,4-dinitrobenzene
Smiles: COc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
InChi : InChI=1S/C7H6N2O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3
InChi Key : InChIKey=CVYZVNVPQRKDLW-UHFFFAOYSA-N
PubChem ID : 8385
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 10.510820
Hydrogen bond donor count : 0 Electric dipole moment : 7.198
XLogP : 1.49 VDW volume : 159.134253
Molecular weight : 198.027671 HOMO-LUMO gap : 8.733000
Herb list :
Refrences & Litretures:
  
633.      Journal:'Journal of Biologically Active Products from Nature'      Year:'2011'      Volume:'1'      Page:'19'      DOI:'10.1080/22311866.2011.10719069'      Title:'Chemical Composition and Antimicrobial Activity of Rosa damascena Mill Essential Oil'
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