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Chemical ID: 5255364
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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