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Chemical ID: 6666686
Chemical ID:
6666686
Name [?]:
2,6-dichloro-3-methyl-benzoic acid
SMILES [?]:
Cc1ccc(c(c1Cl)C(=O)O)Cl
InChi [?]:
InChI=1/C8H6Cl2O2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,2,5,6,7,9,12,8,10,11/E:(11,12)/rA:12nCCCCCCCClCOOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;d9;s9;s5;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6Cl2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.07593 |
Area: | 343.303 |
Solvation: | -1.50665 |
Coulombic: | -28.3635 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 205.037 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.11 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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