Chemical ID: 6429862

c1ccc(c(c1)C=CC(=O)c2ccc(cc2)Cl)OC(=O)c3ccccc3Br
Chemical ID:
6429862
Name [?]:
[2-[3-(4-chlorophenyl)-3-oxo-prop-1-enyl]phenyl] 2-bromobenzoate
SMILES [?]:
c1ccc(c(c1)C=CC(=O)c2ccc(cc2)Cl)OC(=O)c3ccccc3Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H14BrClO3
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0904
Area:593.996
Solvation:-2.75955
Coulombic:-32.4275
Bond Count [?]
All:29
Single:17
Double:12
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:441.701
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.77
LogP (Chemaxon):6.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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