Chemical ID: 6986721

CC(C)c1ccccc1OC(=O)COc2ccc(cc2)Cl
Chemical ID:
6986721
Name [?]:
(2-isopropylphenyl) 2-(4-chlorophenoxy)acetate
SMILES [?]:
CC(C)c1ccccc1OC(=O)COc2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H17ClO3/c1-12(2)15-5-3-4-6-16(15)21-17(19)11-20-14-9-7-13(18)8-10-14/h3-10,12H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,6,7,5,8,17,19,16,20,13,2,18,15,4,9,11,21,12,14,10/E:(1,2)(7,8)(9,10)/rA:21nCCCCCCCCCOCOCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17ClO3
All Atoms:38
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.92031
Area:516.94
Solvation:-3.00319
Coulombic:-29.5901
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:304.768
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.75
LogP (Chemaxon):4.76

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Descriptor Annotations

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