Chemical ID: 7048183

CCOC(=O)COc1ccc2c(c1)OC(=Cc3ccc(cc3Cl)Cl)C2=O
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

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Descriptor Annotations

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