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Chemical ID: 7529982
Chemical ID:
7529982
Name [?]:
3-bromo-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]benzaldehyde
SMILES [?]:
CCOc1cc(cc(c1OCCOc2cccc(c2)C)Br)C=O
InChi [?]:
InChI=1/C18H19BrO4/c1-3-21-17-11-14(12-20)10-16(19)18(17)23-8-7-22-15-6-4-5-13(2)9-15/h4-6,9-12H,3,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,2,16,17,15,12,11,19,7,5,22,18,6,14,8,4,9,21,23,3,13,10/rA:23nCCOCCCCCCOCCOCCCCCCCBrCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s18;s8;s6;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19BrO4 |
All Atoms: | 42 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.11443 |
Area: | 557.243 |
Solvation: | -6.81664 |
Coulombic: | -29.312 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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