Chemical ID: 4146427

Cc1cccc(c1OC(=O)COc2ccc(c(c2)C)Cl)C
Chemical ID:
4146427
Name [?]:
(2,6-dimethylphenyl) 2-(4-chloro-3-methyl-phenoxy)acetate
SMILES [?]:
Cc1cccc(c1OC(=O)COc2ccc(c(c2)C)Cl)C
InChi [?]:
InChI=1/C17H17ClO3/c1-11-5-4-6-12(2)17(11)21-16(19)10-20-14-7-8-15(18)13(3)9-14/h4-9H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,19,4,3,5,14,15,18,11,2,6,17,13,16,9,7,20,10,12,8/E:(1,2)(5,6)(11,12)/rA:21nCCCCCCCOCOCOCCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.44841
Area:510.973
Solvation:-3.32592
Coulombic:-28.2494
Bond Count [?]
All:22
Single:15
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:304.768
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.24
LogP (Chemaxon):4.97

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