Chemical ID: 4500470

c1cc(c(c(c1)Cl)Cl)OCCOc2ccc(cc2Cl)C=O
Chemical ID:
4500470
Name [?]:
3-chloro-4-[2-(2,3-dichlorophenoxy)ethoxy]benzaldehyde
SMILES [?]:
c1cc(c(c(c1)Cl)Cl)OCCOc2ccc(cc2Cl)C=O
InChi [?]:
InChI=1/C15H11Cl3O3/c16-11-2-1-3-14(15(11)18)21-7-6-20-13-5-4-10(9-19)8-12(13)17/h1-5,8-9H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,6,2,15,14,11,10,17,20,16,5,18,13,3,4,7,19,8,21,12,9/rA:21nCCCCCCClClOCCOCCCCCCClCO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11Cl3O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.63829
Area:539.23
Solvation:-5.84246
Coulombic:-23.0817
Bond Count [?]
All:22
Single:15
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.604
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.96
LogP (Chemaxon):4.64

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