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Chemical ID: 6968313
Chemical ID:
6968313
Name [?]:
o-tolyl 2-(4-chlorophenoxy)acetate
SMILES [?]:
Cc1ccccc1OC(=O)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H13ClO3/c1-11-4-2-3-5-14(11)19-15(17)10-18-13-8-6-12(16)7-9-13/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,15,17,14,18,11,2,16,13,7,9,19,10,12,8/E:(6,7)(8,9)/rA:19nCCCCCCCOCOCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClO3 |
All Atoms: | 32 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.77845 |
Area: | 473.616 |
Solvation: | -3.06194 |
Coulombic: | -28.8685 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.715 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.79 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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