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Chemical ID: 6658614
Chemical ID:
6658614
Name [?]:
3,4,5,6-tetrabromobenzene-1,2-diol
SMILES [?]:
c1(c(c(c(c(c1Br)Br)Br)Br)O)O
InChi [?]:
InChI=1/C6H2Br4O2/c7-1-2(8)4(10)6(12)5(11)3(1)9/h11-12H
InChi Info:
AuxInfo=1/0/N:4,5,3,6,2,1,9,8,10,7,11,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:12nCCCCCCBrBrBrBrOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s2;s1;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H2Br4O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.15148 |
Area: | 351.795 |
Solvation: | -2.6434 |
Coulombic: | -31.0734 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 425.695 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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