Chemical ID: 5292507

CC(=O)Oc1ccc2c(c1)OC(=Cc3ccc(cc3)Br)C2=O
Chemical ID:
5292507
Name [?]:
[2-[(4-bromophenyl)methylene]-3-oxo-benzofuran-6-yl] acetate
SMILES [?]:
CC(=O)Oc1ccc2c(c1)OC(=Cc3ccc(cc3)Br)C2=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H11BrO4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.94607
Area:510.699
Solvation:-2.82141
Coulombic:-35.7566
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:359.171
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.21
LogP (Chemaxon):3.62

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue