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Chemical ID: 4117071
Chemical ID:
4117071
Name [?]:
2,6-dichlorobenzoic acid
SMILES [?]:
c1cc(c(c(c1)Cl)C(=O)O)Cl
InChi [?]:
InChI=1/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,11,7,9,10/E:(2,3)(4,5)(8,9)(10,11)/rA:11nCCCCCCClCOOCl/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s3;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H4Cl2O2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.59477 |
Area: | 326.093 |
Solvation: | -1.55755 |
Coulombic: | -28.4209 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.011 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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