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2,6-Dibromophenol

CAT: 0931-T38022-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T38022-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
608-33-3
Target
Parasite, Calcium Channel, Antifungal, Endogenous Metabolite
Related Pathways
Metabolism, Membrane transporter/Ion channel, Microbiology/Virology
Purity
0.9971
Bioactivity
2,6-Dibromophenol (2,6-Dibromo-phenol) is extracted from the skin and muscle of flatfish.
Smiles
Oc1c(Br)cccc1Br
Molecular Formula
C6H4Br2O
Molecular Weight
251.9
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,6-Dibromophenol

2,6-dibromophenol is a dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines. It has a role as a marine metabolite. It is a bromohydrocarbon and a dibromophenol. It is functionally related to a 1,3-dibromobenzene.

CAS Number608-33-3
PubChem CID11847
IUPAC Name2,6-dibromophenol
Molecular FormulaC6H4Br2O
Molecular Weight251.90
XLogP3.4
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity87
SMILES
C1=CC(=C(C(=C1)Br)O)Br
InChI
InChI=1S/C6H4Br2O/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey
SSIZLKDLDKIHEV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dibromophenol
CAS: 608-33-3
CID: 11847
Formula: C6H4Br2O
MW: 251.90
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.90
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass251.86084
Monoisotopic Mass249.86289
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity87.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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