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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
5-fluoro-1,1,3,3-tetramethyl-isobenzofuran , 5-fluoro-1,1,3,3-tetramethylisobenzofuran , 5-fluoro-1,1,3,3-tetramethyl-2-benzofuran , 5-fluoranyl-1,1,3,3-tetramethyl-2-benzofuran , 5-fluoro-1,1,3,3-tetramethyl-phthalan
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| Smiles: |
Fc1ccc2c(c1)C(C)(C)OC2(C)C
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| InChi : |
InChI=1S/C12H15FO/c1-11(2)9-6-5-8(13)7-10(9)12(3,4)14-11/h5-7H,1-4H3
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| InChi Key : |
InChIKey=BVNFTYMHONTTOT-UHFFFAOYSA-N
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| PubChem ID : |
70451107
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| Rotatable bond count : |
0
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Rule of five : |
0
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| Hydrogen bond acceptor count : |
1
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Ionization potential : |
9.515606
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| Hydrogen bond donor count : |
0
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Electric dipole moment : |
0.931
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| XLogP : |
1.51
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VDW volume : |
187.443766
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| Molecular weight : |
194.110693
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HOMO-LUMO gap : |
9.309000
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| Herb list : |
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| Refrences & Litretures: |
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