Chemical ID: 7151372

CCOc1cc(ccc1OCc2cccc(c2)Br)C=O
Chemical ID:
7151372
Name [?]:
4-[(3-bromophenyl)methoxy]-3-ethoxy-benzaldehyde
SMILES [?]:
CCOc1cc(ccc1OCc2cccc(c2)Br)C=O
InChi [?]:
InChI=1/C16H15BrO3/c1-2-19-16-9-12(10-18)6-7-15(16)20-11-13-4-3-5-14(17)8-13/h3-10H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,7,8,17,5,19,11,6,12,16,9,4,18,20,3,10/rA:20nCCOCCCCCCOCCCCCCCBrCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s16;s6;d19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15BrO3
All Atoms:35
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:6.9086
Area:503.33
Solvation:-5.67464
Coulombic:-22.594
Bond Count [?]
All:21
Single:14
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.193
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.21
LogP (Chemaxon):4.13

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