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Chemical ID: 4122999
Chemical ID:
4122999
Name [?]:
3-ethoxy-4-[(2-fluorophenyl)methoxy]benzaldehyde
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2F)C=O
InChi [?]:
InChI=1/C16H15FO3/c1-2-19-16-9-12(10-18)7-8-15(16)20-11-13-5-3-4-6-14(13)17/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,7,8,5,19,11,6,12,17,9,4,18,20,3,10/rA:20nCCOCCCCCCOCCCCCCCFCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15FO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.20233 |
Area: | 475.467 |
Solvation: | -5.68435 |
Coulombic: | -26.8603 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.287 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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