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Chemical ID: 7048183
Chemical ID:
7048183
Name [?]:
ethyl 2-[2-[(2,4-dichlorophenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetate
SMILES [?]:
CCOC(=O)COc1ccc2c(c1)OC(=Cc3ccc(cc3Cl)Cl)C2=O
InChi [?]:
InChI=1/C19H14Cl2O5/c1-2-24-18(22)10-25-13-5-6-14-16(9-13)26-17(19(14)23)7-11-3-4-12(20)8-15(11)21/h3-9H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,19,9,10,16,21,13,6,17,20,8,11,22,12,15,4,25,24,23,5,26,3,7,14/rA:26nCCOCOCOCCCCCCOCCCCCCCCClClCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s20;s11s15;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H14Cl2O5 |
All Atoms: | 40 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0009 |
Area: | 615.879 |
Solvation: | -4.39612 |
Coulombic: | -45.1337 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 393.217 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.92 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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