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ScientificNameLabel
Benzaldehyde,3-(chloroacetoxy)-4-methoxy
PHCD compound ID : 5247
Chemical Names :
Benzaldehyde,3-(chloroacetoxy)-4-methoxy
Molecular Formula : C10H9Cl1O4
Molecular Weight : 228.018936
More Details :
Names & Synonyms: (5-formyl-2-methoxy-phenyl) 2-chloroacetate , 2-chloroacetic acid (5-formyl-2-methoxyphenyl) ester , (5-formyl-2-methoxyphenyl) 2-chloroacetate , (5-methanoyl-2-methoxy-phenyl) 2-chloranylethanoate , 2-chloroacetic acid (5-formyl-2-methoxy-phenyl) ester
Smiles: COc1ccc(cc1OC(=O)CCl)C=O
InChi : InChI=1S/C10H9ClO4/c1-14-8-3-2-7(6-12)4-9(8)15-10(13)5-11/h2-4,6H,5H2,1H3
InChi Key : InChIKey=HZMFULHMGAOXFB-UHFFFAOYSA-N
PubChem ID : 592476
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.385256
Hydrogen bond donor count : 0 Electric dipole moment : 4.011
XLogP : 1.017 VDW volume : 195.449527
Molecular weight : 228.018936 HOMO-LUMO gap : 8.656000
Herb list :
Refrences & Litretures:
  
836.      Journal:'International Journal of ChemTech Research'      Year:'2010'      Volume:'2'      Page:'149'      DOI:''      Title:'Chemical Constituents of hydro alcoholic extract and Phenolic fraction of Cynodon dactylon'
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