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Chemical ID: 6709689
Chemical ID:
6709689
Name [?]:
5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxylate
SMILES [?]:
c1cc(c(cc1Cl)Cl)OCc2ccc(o2)C(=O)[O-]
InChi [?]:
InChI=1/C12H8Cl2O4/c13-7-1-3-10(9(14)5-7)17-6-8-2-4-11(18-8)12(15)16/h1-5H,6H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,12,2,13,5,10,6,11,4,3,14,16,7,8,17,18,9,15/E:(15,16)/rA:18nCCCCCCClClOCCCCCOCOO-/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;d11;s12;d13;s11s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H7Cl2O4- |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -35.4707 |
Area: | 471.401 |
Solvation: | -47.2557 |
Coulombic: | -16.1612 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.087 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.73 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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