Chemical ID: 4117071

c1cc(c(c(c1)Cl)C(=O)O)Cl
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

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Descriptor Annotations

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