Chemical ID: 6303382

COc1ccc(cc1COc2ccc(cc2)Br)C=O
Chemical ID:
6303382
Name [?]:
3-[(4-bromophenoxy)methyl]-4-methoxy-benzaldehyde
SMILES [?]:
COc1ccc(cc1COc2ccc(cc2)Br)C=O
InChi [?]:
InChI=1/C15H13BrO3/c1-18-15-7-2-11(9-17)8-12(15)10-19-14-5-3-13(16)4-6-14/h2-9H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,13,15,12,16,4,7,18,9,6,8,14,11,3,17,19,2,10/E:(3,4)(5,6)/rA:19nCOCCCCCCCOCCCCCCBrCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s6;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13BrO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.01184
Area:472.211
Solvation:-3.79345
Coulombic:-23.9913
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:4.06
LogP (Chemaxon):3.79

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Descriptor Annotations

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