Chemical ID: 7253444

COc1ccc(c(c1)OC)C(=O)COc2ccc(cc2Br)Br
Chemical ID:
7253444
Name [?]:
2-(2,4-dibromophenoxy)-1-(2,4-dimethoxyphenyl)-ethanone
SMILES [?]:
COc1ccc(c(c1)OC)C(=O)COc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C16H14Br2O4/c1-20-11-4-5-12(16(8-11)21-2)14(19)9-22-15-6-3-10(17)7-13(15)18/h3-8H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,4,5,16,19,8,13,18,3,6,20,11,15,7,22,21,12,2,9,14/rA:22nCOCCCCCCOCCOCOCCCCCCBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14Br2O4
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:5.55723
Area:532.24
Solvation:-7.74876
Coulombic:-27.3877
Bond Count [?]
All:23
Single:16
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:430.088
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.69
LogP (Chemaxon):3.94

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Descriptor Annotations

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