Chemical ID: 4490710

CCOc1cc(cc(c1OC(C)C(=O)OC)Br)C=O
Chemical ID:
4490710
Name [?]:
methyl 2-(2-bromo-6-ethoxy-4-formyl-phenoxy)propanoate
SMILES [?]:
CCOc1cc(cc(c1OC(C)C(=O)OC)Br)C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H15BrO5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:5.68514
Area:468.064
Solvation:-6.01645
Coulombic:-40.5377
Bond Count [?]
All:19
Single:14
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:331.159
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.73
LogP (Chemaxon):2.46

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