ChemDB: Chemical Search
Download
Chemical ID: 7470294
Chemical ID:
7470294
Name [?]:
(2-formylphenyl) 2-(4-chloro-2-methyl-phenoxy)acetate
SMILES [?]:
Cc1cc(ccc1OCC(=O)Oc2ccccc2C=O)Cl
InChi [?]:
InChI=1/C16H13ClO4/c1-11-8-13(17)6-7-14(11)20-10-16(19)21-15-5-3-2-4-12(15)9-18/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,5,6,3,19,9,2,18,4,7,13,10,21,20,11,8,12/rA:21nCCCCCCCOCCOOCCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClO4 |
All Atoms: | 34 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.6674 |
Area: | 508.69 |
Solvation: | -4.04985 |
Coulombic: | -35.4992 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 304.725 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.71 |
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 |
---|