Chemical ID: 7529982

CCOc1cc(cc(c1OCCOc2cccc(c2)C)Br)C=O
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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