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6-Chloro-2,4-dibromophenol

CAT: 0013-GTR19216227-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216227-01Size:500 mg
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Description
6-Chloro-2,4-dibromophenol is a marine derived natural products found in Pseudoalteromonas luteoviolacea.
CAS Number
4526-56-1
Product Name Alternative
2,4-dibromo-6-chlorophenol | 2,4-dibromo-6-chloro-phenol | ZINC397569
Purity
>98% (HPLC)
Smiles
Oc1c (Cl) cc (Br) cc1Br
Molecular Formula
C6H3Br2ClO
Molecular Weight
286.35
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Phenol, 2,4-dibromo-6-chloro-
CAS Number4526-56-1
PubChem CID20621
IUPAC Name2,4-dibromo-6-chlorophenol
Molecular FormulaC6H3Br2ClO
Molecular Weight286.35
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
C1=C(C=C(C(=C1Cl)O)Br)Br
InChI
InChI=1S/C6H3Br2ClO/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
InChIKey
MQSIWVCWTVYFDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenol, 2,4-dibromo-6-chloro-
CAS: 4526-56-1
CID: 20621
Formula: C6H3Br2ClO
MW: 286.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.35
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass285.82187
Monoisotopic Mass283.82392
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
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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