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ScientificNameLabel
2-Phenylethyl 2-bromopropanoate
PHCD compound ID : 5076
Chemical Names :
2-Phenylethyl 2-bromopropanoate
Molecular Formula : C11H13Br1O2
Molecular Weight : 256.009892
More Details :
Names & Synonyms: 2-phenylethyl 2-bromopropanoate , 2-bromopropanoic acid 2-phenylethyl ester , 2-phenylethyl 2-bromanylpropanoate , 2-bromopropionic acid phenethyl ester
Smiles: O=C([C@H](Br)C)OCCc1ccccc1
InChi : InChI=1S/C11H13BrO2/c1-9(12)11(13)14-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/t9-/m1/s1
InChi Key : InChIKey=HDTKBTHJTMZYGF-SECBINFHSA-N
PubChem ID : 346278
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.622029
Hydrogen bond donor count : 0 Electric dipole moment : 2.760
XLogP : 2.781 VDW volume : 201.874068
Molecular weight : 256.009892 HOMO-LUMO gap : 9.534000
Herb list :
Refrences & Litretures:
  
791.      Journal:'African Journal of Biotechnology'      Year:'2010'      Volume:'9'      Page:'4264'      DOI:''      Title:'Chemical composition and antioxidant properties of the essential oil and methanol extracts of rhizoma Alpinia officinarum from China in vitro'
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