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Chemical ID: 7470303
Chemical ID:
7470303
Name [?]:
(2-formylphenyl) 2-(2,4-dibromophenoxy)acetate
SMILES [?]:
c1ccc(c(c1)C=O)OC(=O)COc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C15H10Br2O4/c16-11-5-6-14(12(17)7-11)20-9-15(19)21-13-4-2-1-3-10(13)8-18/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,16,15,18,7,12,5,17,19,4,14,10,21,20,8,11,13,9/rA:21nCCCCCCCOOCOCOCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s4;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Br2O4 |
All Atoms: | 31 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.63075 |
Area: | 515.155 |
Solvation: | -4.24812 |
Coulombic: | -34.9744 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 414.046 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.23 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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