Chemical ID: 4282968

c1cc(c(c(c1)Cl)Cl)OC(=O)CCCOc2ccc(cc2Cl)Cl
Chemical ID:
4282968
Name [?]:
(2,3-dichlorophenyl) 4-(2,4-dichlorophenoxy)butanoate
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)OC(=O)CCCOc2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C16H12Cl4O3/c17-10-6-7-13(12(19)9-10)22-8-2-5-15(21)23-14-4-1-3-11(18)16(14)20/h1,3-4,6-7,9H,2,5,8H2
InChi Info:
AuxInfo=1/0/N:1,13,6,2,12,18,17,14,20,19,5,21,16,3,10,4,23,7,22,8,11,15,9/rA:23nCCCCCCClClOCOCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;d10;s10;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12Cl4O3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.7112
Area:600.284
Solvation:-3.2959
Coulombic:-28.0387
Bond Count [?]
All:24
Single:17
Double:7
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:394.075
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:6.21
LogP (Chemaxon):5.55

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Descriptor Annotations

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