Chemical ID: 4449877

CCCOc1cc(c(cc1OCC)C=O)Cl
Chemical ID:
4449877
Name [?]:
2-chloro-5-ethoxy-4-propoxy-benzaldehyde
SMILES [?]:
CCCOc1cc(c(cc1OCC)C=O)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H15ClO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:5.32273
Area:436.354
Solvation:-5.58612
Coulombic:-20.4646
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:242.698
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.11
LogP (Chemaxon):2.89

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