ChemDB: Chemical Search
Download
Chemical ID: 6922638
Chemical ID:
6922638
Name [?]:
4-[(2-chloro-4-fluoro-phenyl)methoxy]-3-ethoxy-benzaldehyde
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2Cl)F)C=O
InChi [?]:
InChI=1/C16H14ClFO3/c1-2-20-16-7-11(9-19)3-6-15(16)21-10-12-4-5-13(18)8-14(12)17/h3-9H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,13,14,8,5,16,20,11,6,12,15,17,9,4,18,19,21,3,10/rA:21nCCOCCCCCCOCCCCCCCClFCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s6;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClFO3 |
All Atoms: | 35 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.69692 |
Area: | 504.226 |
Solvation: | -5.90872 |
Coulombic: | -26.2151 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 308.732 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.2 |
LogP (Chemaxon): | 3.99 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|