ChemDB: Chemical Search
Download
Chemical ID: 6727553
Chemical ID:
6727553
Name [?]:
2-(4-chloro-2-methyl-phenoxy)propanoate
SMILES [?]:
Cc1cc(ccc1OC(C)C(=O)[O-])Cl
InChi [?]:
InChI=1/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,10,5,6,3,2,9,4,7,11,14,12,13,8/E:(12,13)/rA:14cCCCCCCCOCCCOO-Cl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s9;d11;s11;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10ClO3- |
All Atoms: | 24 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -34.2633 |
Area: | 381.337 |
Solvation: | -43.7967 |
Coulombic: | -9.48461 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.637 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.21 |
LogP (Chemaxon): | 2.86 |
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 |
---|