Chemical ID: 6164878

COc1cc(ccc1OC(=O)c2ccccc2I)C=O
Chemical ID:
6164878
Name [?]:
(4-formyl-2-methoxy-phenyl) 2-iodobenzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2I)C=O
InChi [?]:
InChI=1/C15H11IO4/c1-19-14-8-10(9-17)6-7-13(14)20-15(18)11-4-2-3-5-12(11)16/h2-9H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,15,13,16,6,7,4,19,5,12,17,8,3,10,18,20,11,2,9/rA:20nCOCCCCCCOCOCCCCCCICO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s5;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11IO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.69603
Area:482.667
Solvation:-4.37066
Coulombic:-34.8889
Bond Count [?]
All:21
Single:13
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:382.15
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.93
LogP (Chemaxon):3.69

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Descriptor Annotations

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