Chemical ID: 5255364

CCOC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OCC)Cl)Cl
Chemical ID:
5255364
Name [?]:
diethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
SMILES [?]:
CCOC(=O)c1c(c(c(c(c1Cl)Cl)C(=O)OCC)Cl)Cl
InChi [?]:
InChI=1/C12H10Cl4O4/c1-3-19-11(17)5-7(13)9(15)6(10(16)8(5)14)12(18)20-4-2/h3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,6,9,7,11,8,10,4,14,20,12,19,13,5,15,3,16/E:(1,2)(3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(17,18)(19,20)/rA:20nCCOCOCCCCCCClClCOOCCClCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s10;s9;d14;s14;s16;s17;s8;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10Cl4O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:10.1556
Area:520.021
Solvation:-2.84498
Coulombic:-37.2459
Bond Count [?]
All:20
Single:15
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:360.016
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.23
LogP (Chemaxon):3.9

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Descriptor Annotations

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