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2,6-Dibromo-4-fluorophenol

CAT: 0572-TRC-D425723-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D425723-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
344-20-7
Synonyms
2,6-Dibromo-4-fluorophenol (ACI); 4-Fluoro-2,6-dibromophenol; NSC 190640;
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
Oc1c(Br)cc(F)cc1Br
Molecular Formula
C6 H3 Br2 F O
Molecular Weight
269.894
InChI
InChI=1S/C6H3Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
Additionnal Information
IUPAC name: 2,6-dibromo-4-fluoro-phenol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

2,6-Dibromo-4-fluorophenol
CAS Number344-20-7
PubChem CID67654
IUPAC Name2,6-dibromo-4-fluorophenol
Molecular FormulaC6H3Br2FO
Molecular Weight269.89
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity110
SMILES
C1=C(C=C(C(=C1Br)O)Br)F
InChI
InChI=1S/C6H3Br2FO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
InChIKey
RRAZCUUOWIDAJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,6-Dibromo-4-fluorophenol
CAS: 344-20-7
CID: 67654
Formula: C6H3Br2FO
MW: 269.89
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.89
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass269.85142
Monoisotopic Mass267.85347
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity110
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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