Chemical ID: 6299621

c1cc(oc1COc2c(cc(cc2Cl)Cl)Cl)C(=O)O
Chemical ID:
6299621
Name [?]:
5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxylic acid
SMILES [?]:
c1cc(oc1COc2c(cc(cc2Cl)Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C12H7Cl3O4/c13-6-3-8(14)11(9(15)4-6)18-5-7-1-2-10(19-7)12(16)17/h1-4H,5H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,10,12,6,11,5,9,13,3,8,17,15,16,14,18,19,7,4/E:(3,4)(8,9)(14,15)(16,17)/rA:19nCCCOCCOCCCCCCClClClCOO/rB:s1;d2;s3;d1s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s11;s9;s3;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H7Cl3O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.47216
Area:492.763
Solvation:-3.84693
Coulombic:-44.776
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.54
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.84
LogP (Chemaxon):3.35

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue