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Chemical ID: 6176627
Chemical ID:
6176627
Name [?]:
2,3,5,6-tetrachlorobenzene-1,4-dicarboxylic acid
SMILES [?]:
c1(c(c(c(c(c1Cl)Cl)C(=O)O)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C8H2Cl4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,2,6,3,5,14,9,13,7,12,8,15,16,10,11/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14,15,16)/gE:(1,2)/rA:16nCCCCCCClClCOOClClCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;d9;s9;s3;s2;s1;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H2Cl4O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.40254 |
Area: | 418.08 |
Solvation: | -3.04946 |
Coulombic: | -51.8215 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 303.91 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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