Chemical ID: 4965821

CC(C)CCOC(=O)COc1ccc(cc1Cl)Cl
Chemical ID:
4965821
Name [?]:
isopentyl 2-(2,4-dichlorophenoxy)acetate
SMILES [?]:
CC(C)CCOC(=O)COc1ccc(cc1Cl)Cl
InChi [?]:
InChI=1/C13H16Cl2O3/c1-9(2)5-6-17-13(16)8-18-12-4-3-10(14)7-11(12)15/h3-4,7,9H,5-6,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,12,4,5,15,9,2,14,16,11,7,18,17,8,6,10/E:(1,2)/rA:18nCCCCCOCOCOCCCCCCClCl/rB:s1;s2;s2;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:9.15463
Area:504.525
Solvation:-3.45849
Coulombic:-28.3764
Bond Count [?]
All:18
Single:14
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:291.17
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.74
LogP (Chemaxon):3.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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