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Chemical ID: 4374485
Chemical ID:
4374485
Name [?]:
1-chloro-2-[3-(4-ethoxyphenoxy)propoxy]-4-methyl-benzene
SMILES [?]:
CCOc1ccc(cc1)OCCCOc2cc(ccc2Cl)C
InChi [?]:
InChI=1/C18H21ClO3/c1-3-20-15-6-8-16(9-7-15)21-11-4-12-22-18-13-14(2)5-10-17(18)19/h5-10,13H,3-4,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,2,12,18,5,9,6,8,19,11,13,16,17,4,7,20,15,21,3,10,14/E:(6,7)(8,9)/rA:22nCCOCCCCCCOCCCOCCCCCCClC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21ClO3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.20645 |
Area: | 559.919 |
Solvation: | -4.79151 |
Coulombic: | -23.8046 |
Bond Count [?]
All: | 23 |
Single: | 17 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.81 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.42 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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