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Chemical ID: 7154986
Chemical ID:
7154986
Name [?]:
3-ethoxy-2-[(4-fluorophenyl)methoxy]benzoic acid
SMILES [?]:
CCOc1cccc(c1OCc2ccc(cc2)F)C(=O)O
InChi [?]:
InChI=1/C16H15FO4/c1-2-20-14-5-3-4-13(16(18)19)15(14)21-10-11-6-8-12(17)9-7-11/h3-9H,2,10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,13,17,14,16,11,12,15,8,4,9,19,18,20,21,3,10/E:(6,7)(8,9)(18,19)/rA:21nCCOCCCCCCOCCCCCCCFCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s8;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15FO4 |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.47061 |
Area: | 471.611 |
Solvation: | -5.31966 |
Coulombic: | -47.093 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 290.286 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.49 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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