Chemical ID: 6986843

Cc1cccc(c1OC(=O)COc2ccc(cc2C)Cl)C
Chemical ID:
6986843
Name [?]:
(2,6-dimethylphenyl) 2-(4-chloro-2-methyl-phenoxy)acetate
SMILES [?]:
Cc1cccc(c1OC(=O)COc2ccc(cc2C)Cl)C
InChi [?]:
InChI=1/C17H17ClO3/c1-11-5-4-6-12(2)17(11)21-16(19)10-20-15-8-7-14(18)9-13(15)3/h4-9H,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,19,4,3,5,15,14,17,11,2,6,18,16,13,9,7,20,10,12,8/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;s18;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClO3
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.5498
Area:512.941
Solvation:-3.27372
Coulombic:-28.2526
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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