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Chemical ID: 4431487
Chemical ID:
4431487
Name [?]:
(2-chlorophenyl) 2-(4-chloro-2-methyl-phenoxy)acetate
SMILES [?]:
Cc1cc(ccc1OCC(=O)Oc2ccccc2Cl)Cl
InChi [?]:
InChI=1/C15H12Cl2O3/c1-10-8-11(16)6-7-13(10)19-9-15(18)20-14-5-3-2-4-12(14)17/h2-8H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,16,15,17,14,5,6,3,9,2,4,18,7,13,10,20,19,11,8,12/rA:20nCCCCCCCOCCOOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.6846 |
Area: | 504.065 |
Solvation: | -2.91704 |
Coulombic: | -29.3779 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 311.159 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.41 |
LogP (Chemaxon): | 4.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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