Chemical ID: 5252392

CCCCCOC(=O)COc1ccc(cc1Cl)Cl
Chemical ID:
5252392
Name [?]:
pentyl 2-(2,4-dichlorophenoxy)acetate
SMILES [?]:
CCCCCOC(=O)COc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C13H16Cl2O3/c1-2-3-4-7-17-13(16)9-18-12-6-5-10(14)8-11(12)15/h5-6,8H,2-4,7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,13,12,5,15,9,14,16,11,7,18,17,8,6,10/rA:18nCCCCCOCOCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16Cl2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.39966
Area:513.926
Solvation:-3.44848
Coulombic:-28.4036
Bond Count [?]
All:18
Single:14
Double:4
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:291.17
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):4.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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