Chemical ID: 6968313

Cc1ccccc1OC(=O)COc2ccc(cc2)Cl
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

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Descriptor Annotations

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