Chemical ID: 4084647

COc1cc(ccc1OC(=O)c2cccc(c2)F)C=O
Chemical ID:
4084647
Name [?]:
(4-formyl-2-methoxy-phenyl) 3-fluorobenzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2cccc(c2)F)C=O
InChi [?]:
InChI=1/C15H11FO4/c1-19-14-7-10(9-17)5-6-13(14)20-15(18)11-3-2-4-12(16)8-11/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,6,7,4,17,19,5,12,16,8,3,10,18,20,11,2,9/rA:20nCOCCCCCCOCOCCCCCCFCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s5;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11FO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.21343
Area:457.137
Solvation:-5.21499
Coulombic:-37.9576
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:274.244
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.03
LogP (Chemaxon):2.84

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