ChemDB: Chemical Search
Download
Chemical ID: 5844766
Chemical ID:
5844766
Name [?]:
(2-ethoxy-4-formyl-phenyl) 2-chlorobenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccccc2Cl)C=O
InChi [?]:
InChI=1/C16H13ClO4/c1-2-20-15-9-11(10-18)7-8-14(15)21-16(19)12-5-3-4-6-13(12)17/h3-10H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,16,14,17,7,8,5,20,6,13,18,9,4,11,19,21,12,3,10/rA:21nCCOCCCCCCOCOCCCCCCClCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s6;d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13ClO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.07385 |
Area: | 497.901 |
Solvation: | -4.37367 |
Coulombic: | -35.3709 |
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: | 3.91 |
LogP (Chemaxon): | 3.56 |
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 |
---|