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Chemical ID: 7253444
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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