Chemical ID: 7197136

c1cc(oc1COc2c(cc(cc2Cl)Cl)Cl)C(=O)[O-]
Chemical ID:
7197136
Name [?]:
5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carboxylate
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)/p-1
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:C12H6Cl3O4-
All Atoms:25
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-34.9963
Area:490.694
Solvation:-47.2637
Coulombic:-16.1826
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.532
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.36
LogP (Chemaxon):3.35

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