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Chemical ID: 4373257
Chemical ID:
4373257
Name [?]:
1-[2-(2-chlorophenoxy)ethoxy]-4-ethoxy-benzene
SMILES [?]:
CCOc1ccc(cc1)OCCOc2ccccc2Cl
InChi [?]:
InChI=1/C16H17ClO3/c1-2-18-13-7-9-14(10-8-13)19-11-12-20-16-6-4-3-5-15(16)17/h3-10H,2,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,16,18,15,5,9,6,8,11,12,4,7,19,14,20,3,10,13/E:(7,8)(9,10)/rA:20nCCOCCCCCCOCCOCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17ClO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57175 |
Area: | 508.756 |
Solvation: | -5.14715 |
Coulombic: | -23.6642 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 292.757 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.36 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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