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Chemical ID: 6532097
Chemical ID:
6532097
Name [?]:
2,3,4,5,6-pentachlorobenzoic acid
SMILES [?]:
c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C7HCl5O2/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,12,11,7,10,8,9,13,14/E:(2,3)(4,5)(8,9)(10,11)(13,14)/rA:14nCCCCCCClClClClClCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s2;s1;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7HCl5O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.97778 |
Area: | 402.087 |
Solvation: | -2.07439 |
Coulombic: | -26.3279 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 294.345 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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