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Chemical ID: 7331462
Chemical ID:
7331462
Name [?]:
methyl 2,3,4,5-tetrachlorobenzoate
SMILES [?]:
COC(=O)c1cc(c(c(c1Cl)Cl)Cl)Cl
InChi [?]:
InChI=1/C8H4Cl4O2/c1-14-8(13)3-2-4(9)6(11)7(12)5(3)10/h2H,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,10,8,9,3,14,11,13,12,4,2/rA:14nCOCOCCCCCCClClClCl/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s10;s9;s8;s7;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4Cl4O2 |
All Atoms: | 18 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.13023 |
Area: | 404.436 |
Solvation: | -1.98067 |
Coulombic: | -19.6406 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 273.927 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.45 |
LogP (Chemaxon): | 3.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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