Chemical ID: 5570823

c1c(cc(c(c1c2cc(cc(c2O)Br)Br)O)Br)Br
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

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Descriptor Annotations

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