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Chemical ID: 4370872
Chemical ID:
4370872
Name [?]:
1-ethoxy-4-[3-(2-nitrophenoxy)propoxy]benzene
SMILES [?]:
CCOc1ccc(cc1)OCCCOc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C17H19NO5/c1-2-21-14-8-10-15(11-9-14)22-12-5-13-23-17-7-4-3-6-16(17)18(19)20/h3-4,6-11H,2,5,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,17,12,19,16,5,9,6,8,11,13,4,7,20,15,21,22,23,3,10,14/E:(8,9)(10,11)(19,20)/CRV:18.5/rA:23nCCOCCCCCCOCCCOCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO5 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 1.78046 |
Area: | 547.76 |
Solvation: | -11.9135 |
Coulombic: | -32.9226 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 317.336 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.13 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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