Chemical ID: 7151361

COc1cccc(c1OCc2cccc(c2)Br)C=O
Chemical ID:
7151361
Name [?]:
2-[(3-bromophenyl)methoxy]-3-methoxy-benzaldehyde
SMILES [?]:
COc1cccc(c1OCc2cccc(c2)Br)C=O
InChi [?]:
InChI=1/C15H13BrO3/c1-18-14-7-3-5-12(9-17)15(14)19-10-11-4-2-6-13(16)8-11/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,5,12,6,14,4,16,18,10,11,7,15,3,8,17,19,2,9/rA:19nCOCCCCCCOCCCCCCCBrCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s7;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrO3
All Atoms:32
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.31078
Area:466.5
Solvation:-4.35172
Coulombic:-24.3879
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:321.166
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.79
LogP (Chemaxon):3.79

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