Chemical ID: 3990196

c1cc(c(c(c1Cl)C(=O)O)Cl)Cl
Chemical ID:
3990196
Name [?]:
2,3,6-trichlorobenzoic acid
SMILES [?]:
c1cc(c(c(c1Cl)C(=O)O)Cl)Cl
InChi [?]:
InChI=1/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,7,12,11,9,10/E:(11,12)/rA:12nCCCCCCClCOOClCl/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;s8;s4;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H3Cl3O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.17125
Area:354.406
Solvation:-1.68889
Coulombic:-27.8922
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:225.456
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.5
LogP (Chemaxon):3.12

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Experimental Annotations

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Descriptor Annotations

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