ChemDB: Chemical Search
Download
Chemical ID: 7154960
Chemical ID:
7154960
Name [?]:
2-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-benzoic acid
SMILES [?]:
CCOc1cccc(c1OCc2ccc(cc2Cl)Cl)C(=O)O
InChi [?]:
InChI=1/C16H14Cl2O4/c1-2-21-14-5-3-4-12(16(19)20)15(14)22-9-10-6-7-11(17)8-13(10)18/h3-8H,2,9H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,13,14,16,11,12,15,8,17,4,9,20,19,18,21,22,3,10/E:(19,20)/rA:22nCCOCCCCCCOCCCCCCCClClCOO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s15;s8;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14Cl2O4 |
All Atoms: | 36 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19194 |
Area: | 532.58 |
Solvation: | -4.12255 |
Coulombic: | -44.5359 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.185 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.58 |
LogP (Chemaxon): | 4.21 |
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 |
---|