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3,4-Difluorobenzoic acid,4-dodecyl ester
PHCD compound ID : 4412
Chemical Names :
3,4-Difluorobenzoic acid,4-dodecyl ester
Molecular Formula : C19H28F2O2
Molecular Weight : 326.205737
More Details :
Names & Synonyms: 1-propylnonyl 3,4-difluorobenzoate , 3,4-difluorobenzoic acid dodecan-4-yl ester , dodecan-4-yl 3,4-difluorobenzoate , dodecan-4-yl 3,4-bis(fluoranyl)benzoate , 3,4-difluorobenzoic acid 1-propylnonyl ester
Smiles: CCC[C@@H](OC(=O)c1ccc(c(c1)F)F)CCCCCCCC
InChi : InChI=1S/C19H28F2O2/c1-3-5-6-7-8-9-11-16(10-4-2)23-19(22)15-12-13-17(20)18(21)14-15/h12-14,16H,3-11H2,1-2H3/t16-/m1/s1
InChi Key : InChIKey=WBIUDEYXKUJGNB-MRXNPFEDSA-N
PubChem ID : 91717404
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.359814
Hydrogen bond donor count : 0 Electric dipole moment : 3.727
XLogP : 6.484 VDW volume : 333.093444
Molecular weight : 326.205737 HOMO-LUMO gap : 9.301000
Herb list :
Refrences & Litretures:
  
656.      Journal:'Int. J. LifeSc. Bt & Pharm. Res'      Year:'2012'      Volume:'1'      Page:'164'      DOI:''      Title:'ANTIBACTERIAL ACTIVITY OF PUNICA GRANATUM PEEL EXTRACTS AGAINST SHIGA TOXIN PRODUCING E. COLI'
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