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ScientificNameLabel
Ethanone.1-(2.5-dichlorophenyl)-
PHCD compound ID : 3755
Chemical Names :
Ethanone.1-(2.5-dichlorophenyl)-
Molecular Formula : C8H6Cl2O1
Molecular Weight : 187.97957
More Details :
Names & Synonyms: 1-(2,5-dichlorophenyl)ethanone , 1-[2,5-bis(chloranyl)phenyl]ethanone
Smiles: Clc1ccc(c(c1)C(=O)C)Cl
InChi : InChI=1S/C8H6Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-4H,1H3
InChi Key : InChIKey=CYNFEPKQDJHIMV-UHFFFAOYSA-N
PubChem ID : 75587
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.990172
Hydrogen bond donor count : 0 Electric dipole moment : 2.960
XLogP : 1.765 VDW volume : 152.334404
Molecular weight : 187.97957 HOMO-LUMO gap : 9.013000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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