Chemical ID: 4294155

CCOc1cc(ccc1OC(=O)c2ccc(cc2)F)C=O
Chemical ID:
4294155
Name [?]:
(2-ethoxy-4-formyl-phenyl) 4-fluorobenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)F)C=O
InChi [?]:
InChI=1/C16H13FO4/c1-2-20-15-9-11(10-18)3-8-14(15)21-16(19)12-4-6-13(17)7-5-12/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,14,18,15,17,8,5,20,6,13,16,9,4,11,19,21,12,3,10/E:(4,5)(6,7)/rA:21nCCOCCCCCCOCOCCCCCCFCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s6;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13FO4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.92808
Area:482.242
Solvation:-5.12797
Coulombic:-38.3563
Bond Count [?]
All:22
Single:14
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:288.27
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.45
LogP (Chemaxon):3.18

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