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2,4,5-Tribromophenol

CAT: 0572-TRC-T798225-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T798225-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14401-61-7
Synonyms
Phenol, 2,4,5-tribromo-; 2,4,5-Tribromophenol
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Oc1cc(Br)c(Br)cc1Br
Molecular Formula
C6 H3 Br3 O
Molecular Weight
330.8
InChI
InChI=1S/C6H3Br3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
Additionnal Information
IUPAC name: 2,4,5-tribromophenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Phenol, 2,4,5-tribromo-
CAS Number14401-61-7
PubChem CID32931
IUPAC Name2,4,5-tribromophenol
Molecular FormulaC6H3Br3O
Molecular Weight330.80
XLogP3.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity120
SMILES
C1=C(C(=CC(=C1Br)Br)Br)O
InChI
InChI=1S/C6H3Br3O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
InChIKey
XPUSKKJATQFMBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenol, 2,4,5-tribromo-
CAS: 14401-61-7
CID: 32931
Formula: C6H3Br3O
MW: 330.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.80
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass329.77135
Monoisotopic Mass327.77340
Topological Polar Surface Area20.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
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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