Chemical ID: 4898064

CCOC(=O)COc1ccc2c(c1)OC(=Cc3ccc(cc3)Br)C2=O
Chemical ID:
4898064
Name [?]:
ethyl 2-[2-[(4-bromophenyl)methylene]-3-oxo-benzofuran-6-yl]oxyacetate
SMILES [?]:
CCOC(=O)COc1ccc2c(c1)OC(=Cc3ccc(cc3)Br)C2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15BrO5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1175
Area:584.239
Solvation:-4.48842
Coulombic:-44.7753
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:403.223
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.47
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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