Chemical ID: 4146431

Cc1cccc(c1OC(=O)COc2ccc(cc2)Cl)C
Chemical ID:
4146431
Name [?]:
(2,6-dimethylphenyl) 2-(4-chlorophenoxy)acetate
SMILES [?]:
Cc1cccc(c1OC(=O)COc2ccc(cc2)Cl)C
InChi [?]:
InChI=1/C16H15ClO3/c1-11-4-3-5-12(2)16(11)20-15(18)10-19-14-8-6-13(17)7-9-14/h3-9H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,4,3,5,15,17,14,18,11,2,6,16,13,9,7,19,10,12,8/E:(1,2)(4,5)(6,7)(8,9)(11,12)/rA:20nCCCCCCCOCOCOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;s6;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15ClO3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.95808
Area:493.11
Solvation:-3.36966
Coulombic:-28.2881
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.741
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.01
LogP (Chemaxon):4.5

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