Chemical ID: 6709689

c1cc(c(cc1Cl)Cl)OCc2ccc(o2)C(=O)[O-]
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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Descriptor Annotations

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