Chemical ID: 7473551

Cc1cccc(c1C)OC(=O)COc2ccc(cc2C)Cl
Chemical ID:
7473551
Name [?]:
(2,3-dimethylphenyl) 2-(4-chloro-2-methyl-phenoxy)acetate
SMILES [?]:
Cc1cccc(c1C)OC(=O)COc2ccc(cc2C)Cl
InChi [?]:
InChI=1/C17H17ClO3/c1-11-5-4-6-16(13(11)3)21-17(19)10-20-15-8-7-14(18)9-12(15)2/h4-9H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,8,4,3,5,16,15,18,12,2,19,7,17,14,6,10,21,11,13,9/rA:21nCCCCCCCCOCOCOCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClO3
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.80723
Area:511.641
Solvation:-2.98379
Coulombic:-28.6263
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:4.45
LogP (Chemaxon):4.97

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Descriptor Annotations

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