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Chemical ID: 4500470
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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