Chemical ID: 6532097

c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)C(=O)O
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

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Descriptor Annotations

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