Chemical ID: 6666686

Cc1ccc(c(c1Cl)C(=O)O)Cl
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

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Descriptor Annotations

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