Chemical ID: 7469112

Cc1cc(cc(c1OCC(=O)Oc2ccc3ccccc3c2C=O)Br)Br
Chemical ID:
7469112
Name [?]:
(1-formyl-2-naphthyl) 2-(2,4-dibromo-6-methyl-phenoxy)acetate
SMILES [?]:
Cc1cc(cc(c1OCC(=O)Oc2ccc3ccccc3c2C=O)Br)Br
InChi [?]:
InChI=1/C20H14Br2O4/c1-12-8-14(21)9-17(22)20(12)25-11-19(24)26-18-7-6-13-4-2-3-5-15(13)16(18)10-23/h2-10H,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,19,17,20,15,14,3,5,23,9,2,16,4,21,22,6,13,10,7,26,25,24,11,8,12/rA:26nCCCCCCCOCCOOCCCCCCCCCCCOBrBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s22;d23;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H14Br2O4
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.0911
Area:581.104
Solvation:-4.43646
Coulombic:-35.1586
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:478.131
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.72
LogP (Chemaxon):5.78

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Descriptor Annotations

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