Chemical ID: 5278234

COC(=O)COc1ccc2c(c1)OC(=Cc3cccc(c3)Cl)C2=O
Chemical ID:
5278234
Name [?]:
methyl 2-[2-[(3-chlorophenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetate
SMILES [?]:
COC(=O)COc1ccc2c(c1)OC(=Cc3cccc(c3)Cl)C2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H13ClO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.26225
Area:555.525
Solvation:-4.62586
Coulombic:-44.7853
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:344.746
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.87
LogP (Chemaxon):3.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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