Chemical ID: 4290854

c1cc(ccc1C(=O)Oc2ccc(cc2)Br)C(=O)Oc3ccc(cc3)Br
Chemical ID:
4290854
Name [?]:
bis(4-bromophenyl) benzene-1,4-dicarboxylate
SMILES [?]:
c1cc(ccc1C(=O)Oc2ccc(cc2)Br)C(=O)Oc3ccc(cc3)Br
InChi [?]:
InChI=1/C20H12Br2O4/c21-15-5-9-17(10-6-15)25-19(23)13-1-2-14(4-3-13)20(24)26-18-11-7-16(22)8-12-18/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,5,4,12,14,22,24,11,15,21,25,6,3,13,23,10,20,7,17,16,26,8,18,9,19/E:(1,2,3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)(25,26)/rA:26nCCCCCCCOOCCCCCCBrCOOCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;s3;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H12Br2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.8019
Area:604.002
Solvation:-2.29816
Coulombic:-42.2257
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:476.115
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.62
LogP (Chemaxon):6.09

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Descriptor Annotations

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