ChemDB: Chemical Search
Download
Chemical ID: 5570823
Chemical ID:
5570823
Name [?]:
2,4-dibromo-6-(3,5-dibromo-2-hydroxy-phenyl)-phenol
SMILES [?]:
c1c(cc(c(c1c2cc(cc(c2O)Br)Br)O)Br)Br
InChi [?]:
InChI=1/C12H6Br4O2/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)18/h1-4,17-18H
InChi Info:
AuxInfo=1/0/N:1,8,3,10,2,9,6,7,4,11,5,12,18,15,17,14,16,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCCCCCCCOBrBrOBrBr/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s9;d10;d7s11;s12;s11;s9;s5;s4;s2;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H6Br4O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23218 |
Area: | 465.163 |
Solvation: | -2.39688 |
Coulombic: | -33.1872 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 501.791 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 5.92 |
LogP (Chemaxon): | 6.33 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|