Chemical ID: 6727553

Cc1cc(ccc1OC(C)C(=O)[O-])Cl
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue